1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol

C225H275F10N15O10 — CID 159844667

IUPAC1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc3cc(C)ccc3n2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1F.C#CC(O)Cc1ccc(-c2ncc3cc(C)ccc3n2)cc1
InChIInChI=1S/2C20H15F2NO.2C20H16FNO.C20H17NO.C19H14F2N2O.2C19H15FN2O.2C19H16N2O.30CH4/c1-3-15(24)11-14-5-7-16(20(22)19(14)21)18-9-6-13-10-12(2)4-8-17(13)23-18;1-3-16(24)9-14-6-7-17(20(22)19(14)21)18-10-13-5-4-12(2)8-15(13)11-23-18;1-3-17(23)9-14-5-7-18(19(21)10-14)20-11-15-6-4-13(2)8-16(15)12-22-20;1-3-18(23)9-15-6-7-16(10-19(15)21)20-11-14-5-4-13(2)8-17(14)12-22-20;1-3-19(22)11-15-5-8-16(9-6-15)20-12-17-7-4-14(2)10-18(17)13-21-20;1-3-15(24)9-13-4-6-16(19(21)18(13)20)12-5-7-17-14(8-12)10-22-11(2)23-17;1-3-16(23)8-13-4-6-17(18(20)9-13)14-5-7-19-15(10-14)11-21-12(2)22-19;1-3-17(23)9-15-5-4-14(10-18(15)20)13-6-7-19-16(8-13)11-21-12(2)22-19;1-3-17(22)11-14-5-7-15(8-6-14)19-20-12-16-10-13(2)4-9-18(16)21-19;1-3-18(22)10-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20-13(2)21-19;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-10,15,24H,11H2,2H3;1,4-8,10-11,16,24H,9H2,2H3;1,4-8,10-12,17,23H,9H2,2H3;1,4-8,10-12,18,23H,9H2,2H3;1,4-10,12-13,19,22H,11H2,2H3;1,4-8,10,15,24H,9H2,2H3;1,4-7,9-11,16,23H,8H2,2H3;1,4-8,10-11,17,23H,9H2,2H3;1,4-10,12,17,22H,11H2,2H3;1,4-9,11-12,18,22H,10H2,2H3;30*1H4
InChIKeyNPDIDCPQSGYTES-UHFFFAOYSA-N
MW3539.75 g/mol
LogP54.92
Rot. Bonds30

About 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol

1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol (PubChem CID 159844667) has the molecular formula C225H275F10N15O10 and a molecular weight of 3539.75 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
PubChem CID159844667
Molecular FormulaC225H275F10N15O10
Molecular Weight3539.75 g/mol
Exact Mass3537.13
IUPAC Name1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc3cc(C)ccc3n2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1F.C#CC(O)Cc1ccc(-c2ncc3cc(C)ccc3n2)cc1
InChIInChI=1S/2C20H15F2NO.2C20H16FNO.C20H17NO.C19H14F2N2O.2C19H15FN2O.2C19H16N2O.30CH4/c1-3-15(24)11-14-5-7-16(20(22)19(14)21)18-9-6-13-10-12(2)4-8-17(13)23-18;1-3-16(24)9-14-6-7-17(20(22)19(14)21)18-10-13-5-4-12(2)8-15(13)11-23-18;1-3-17(23)9-14-5-7-18(19(21)10-14)20-11-15-6-4-13(2)8-16(15)12-22-20;1-3-18(23)9-15-6-7-16(10-19(15)21)20-11-14-5-4-13(2)8-17(14)12-22-20;1-3-19(22)11-15-5-8-16(9-6-15)20-12-17-7-4-14(2)10-18(17)13-21-20;1-3-15(24)9-13-4-6-16(19(21)18(13)20)12-5-7-17-14(8-12)10-22-11(2)23-17;1-3-16(23)8-13-4-6-17(18(20)9-13)14-5-7-19-15(10-14)11-21-12(2)22-19;1-3-17(23)9-15-5-4-14(10-18(15)20)13-6-7-19-16(8-13)11-21-12(2)22-19;1-3-17(22)11-14-5-7-15(8-6-14)19-20-12-16-10-13(2)4-9-18(16)21-19;1-3-18(22)10-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20-13(2)21-19;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-10,15,24H,11H2,2H3;1,4-8,10-11,16,24H,9H2,2H3;1,4-8,10-12,17,23H,9H2,2H3;1,4-8,10-12,18,23H,9H2,2H3;1,4-10,12-13,19,22H,11H2,2H3;1,4-8,10,15,24H,9H2,2H3;1,4-7,9-11,16,23H,8H2,2H3;1,4-8,10-11,17,23H,9H2,2H3;1,4-10,12,17,22H,11H2,2H3;1,4-9,11-12,18,22H,10H2,2H3;30*1H4
InChIKeyNPDIDCPQSGYTES-UHFFFAOYSA-N
XLogP54.92
TPSA395.65 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003539.75
LogP ≤ 554.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[7-(2,3-difluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2,3-difluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[6-(2,3-difluoro-4-methylphenyl)quinazolin-2-yl]but-3-yn-2-ol;1-[7-(2-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[7-(3-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[2-(3-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;methane;1-[7-(4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol
CID 157152036
1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
CID 157350746
1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
CID 20663028
1-[4-(2-methylquinoxalin-6-yl)phenyl]but-3-yn-2-ol
CID 20663108
1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
CID 20663173
2,2,2-trifluoro-1-[4-(7-methylisoquinolin-3-yl)phenyl]ethanone
CID 141395565
6-methyl-2-(6-methylquinolin-2-yl)quinazoline
CID 130272199
(E)-7-[3-(3-fluoro-4-prop-2-enylphenyl)isoquinolin-7-yl]hept-6-en-2-ol
CID 70263594
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
2-(2-fluoro-4-methylphenyl)-5-methylpyridine;2-(3-fluoro-4-methylphenyl)-5-methylpyridine;5-(2-fluoro-4-methylphenyl)-2-methylpyridine;5-(3-fluoro-4-methylphenyl)-2-methylpyridine;2-methyl-5-(4-methylphenyl)pyrazine;3-methyl-6-(4-methylphenyl)pyridazine;2-methyl-5-(4-methylphenyl)pyrimidine;5-methyl-2-(4-methylphenyl)pyrimidine;3-methyl-6-(6-methylpyridazin-3-yl)pyridazine;2-methyl-5-(6-methyl-3-pyridinyl)pyrazine;3-methyl-6-(6-methyl-3-pyridinyl)pyridazine;2-methyl-5-(5-methyl-2-pyridinyl)pyrimidine;2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(6-methyl-3-pyridinyl)pyrimidine);2-methyl-5-(2-methylpyrimidin-5-yl)pyrimidine
CID 160794755
2-fluoro-1-[3-fluoro-4-(fluoromethyl)phenyl]-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59499857
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol?
The IUPAC name of 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol (CID 159844667) is 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol.
What is the SMILES notation for 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol?
The canonical SMILES for 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)c(F)c1F.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1.C#CC(O)Cc1ccc(-c2cc3ccc(C)cc3cn2)cc1F.C#CC(O)Cc1ccc(-c2ccc3cc(C)ccc3n2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)c(F)c1F.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1.C#CC(O)Cc1ccc(-c2ccc3nc(C)ncc3c2)cc1F.C#CC(O)Cc1ccc(-c2ncc3cc(C)ccc3n2)cc1.
What is the InChIKey of 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol?
The InChIKey is NPDIDCPQSGYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15F2NO.2C20H16FNO.C20H17NO.C19H14F2N2O.2C19H15FN2O.2C19H16N2O.30CH4/c1-3-15(24)11-14-5-7-16(20(22)19(14)21)18-9-6-13-10-12(2)4-8-17(13)23-18;1-3-16(24)9-14-6-7-17(20(22)19(14)21)18-10-13-5-4-12(2)8-15(13)11-23-18;1-3-17(23)9-14-5-7-18(19(21)10-14)20-11-15-6-4-13(2)8-16(15)12-22-20;1-3-18(23)9-15-6-7-16(10-19(15)21)20-11-14-5-4-13(2)8-17(14)12-22-20;1-3-19(22)11-15-5-8-16(9-6-15)20-12-17-7-4-14(2)10-18(17)13-21-20;1-3-15(24)9-13-4-6-16(19(21)18(13)20)12-5-7-17-14(8-12)10-22-11(2)23-17;1-3-16(23)8-13-4-6-17(18(20)9-13)14-5-7-19-15(10-14)11-21-12(2)22-19;1-3-17(23)9-15-5-4-14(10-18(15)20)13-6-7-19-16(8-13)11-21-12(2)22-19;1-3-17(22)11-14-5-7-15(8-6-14)19-20-12-16-10-13(2)4-9-18(16)21-19;1-3-18(22)10-14-4-6-15(7-5-14)16-8-9-19-17(11-16)12-20-13(2)21-19;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1,4-10,15,24H,11H2,2H3;1,4-8,10-11,16,24H,9H2,2H3;1,4-8,10-12,17,23H,9H2,2H3;1,4-8,10-12,18,23H,9H2,2H3;1,4-10,12-13,19,22H,11H2,2H3;1,4-8,10,15,24H,9H2,2H3;1,4-7,9-11,16,23H,8H2,2H3;1,4-8,10-11,17,23H,9H2,2H3;1,4-10,12,17,22H,11H2,2H3;1,4-9,11-12,18,22H,10H2,2H3;30*1H4.
What are the key properties of 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol?
1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol has a molecular weight of 3539.75 g/mol, XLogP of 54.92, 30 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol is sourced from PubChem (CID 159844667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).