(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C140H131F7N32O9 — CID 158799145

IUPAC(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESC#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(C)Cc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(CCOC)CCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCC(N5CCCC5)CC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCCCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCOCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CC[C@@H](N(C)C)C4)cc23)c1
InChIInChI=1S/C26H27FN6O.C25H19F2N5O.C23H23FN6O.C23H24FN5O3.C22H20FN5O.C21H18FN5O2/c1-2-18-6-5-7-19(14-18)30-25-21-15-24(22(27)16-23(21)28-17-29-25)31-26(34)33-12-8-20(9-13-33)32-10-3-4-11-32;1-3-16-6-5-9-19(11-16)30-24-20-12-23(21(27)13-22(20)28-15-29-24)31-25(33)32(2)14-17-7-4-8-18(26)10-17;1-4-15-6-5-7-16(10-15)27-22-18-11-21(19(24)12-20(18)25-14-26-22)28-23(31)30-9-8-17(13-30)29(2)3;1-4-16-6-5-7-17(12-16)27-22-18-13-21(19(24)14-20(18)25-15-26-22)28-23(30)29(8-10-31-2)9-11-32-3;1-2-15-7-6-8-16(11-15)26-21-17-12-20(18(23)13-19(17)24-14-25-21)27-22(29)28-9-4-3-5-10-28;1-2-14-4-3-5-15(10-14)25-20-16-11-19(17(22)12-18(16)23-13-24-20)26-21(28)27-6-8-29-9-7-27/h1,5-7,14-17,20H,3-4,8-13H2,(H,31,34)(H,28,29,30);1,4-13,15H,14H2,2H3,(H,31,33)(H,28,29,30);1,5-7,10-12,14,17H,8-9,13H2,2-3H3,(H,28,31)(H,25,26,27);1,5-7,12-15H,8-11H2,2-3H3,(H,28,30)(H,25,26,27);1,6-8,11-14H,3-5,9-10H2,(H,27,29)(H,24,25,26);1,3-5,10-13H,6-9H2,(H,26,28)(H,23,24,25)/t;;17-;;;/m..1.../s1
InChIKeyITGHRDUMUZVQRJ-BWKBLWMOSA-N
MW2538.79 g/mol
LogP25.03
Rot. Bonds28

About (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 158799145) has the molecular formula C140H131F7N32O9 and a molecular weight of 2538.79 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID158799145
Molecular FormulaC140H131F7N32O9
Molecular Weight2538.79 g/mol
Exact Mass2537.07
IUPAC Name(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESC#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(C)Cc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(CCOC)CCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCC(N5CCCC5)CC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCCCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCOCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CC[C@@H](N(C)C)C4)cc23)c1
InChIInChI=1S/C26H27FN6O.C25H19F2N5O.C23H23FN6O.C23H24FN5O3.C22H20FN5O.C21H18FN5O2/c1-2-18-6-5-7-19(14-18)30-25-21-15-24(22(27)16-23(21)28-17-29-25)31-26(34)33-12-8-20(9-13-33)32-10-3-4-11-32;1-3-16-6-5-9-19(11-16)30-24-20-12-23(21(27)13-22(20)28-15-29-24)31-25(33)32(2)14-17-7-4-8-18(26)10-17;1-4-15-6-5-7-16(10-15)27-22-18-11-21(19(24)12-20(18)25-14-26-22)28-23(31)30-9-8-17(13-30)29(2)3;1-4-16-6-5-7-17(12-16)27-22-18-13-21(19(24)14-20(18)25-15-26-22)28-23(30)29(8-10-31-2)9-11-32-3;1-2-15-7-6-8-16(11-15)26-21-17-12-20(18(23)13-19(17)24-14-25-21)27-22(29)28-9-4-3-5-10-28;1-2-14-4-3-5-15(10-14)25-20-16-11-19(17(22)12-18(16)23-13-24-20)26-21(28)27-6-8-29-9-7-27/h1,5-7,14-17,20H,3-4,8-13H2,(H,31,34)(H,28,29,30);1,4-13,15H,14H2,2H3,(H,31,33)(H,28,29,30);1,5-7,10-12,14,17H,8-9,13H2,2-3H3,(H,28,31)(H,25,26,27);1,5-7,12-15H,8-11H2,2-3H3,(H,28,30)(H,25,26,27);1,6-8,11-14H,3-5,9-10H2,(H,27,29)(H,24,25,26);1,3-5,10-13H,6-9H2,(H,26,28)(H,23,24,25)/t;;17-;;;/m..1.../s1
InChIKeyITGHRDUMUZVQRJ-BWKBLWMOSA-N
XLogP25.03
TPSA455.07 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002538.79
LogP ≤ 525.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

Bis-quinazolinotriazene, 5a
CID 24851059
N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide
CID 44599155
2-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methylquinolin-4-amine
CID 67507706
2-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
CID 67509132
1-cyclopropyl-3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-(pyridin-3-ylmethyl)urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methylsulfanylethyl)urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(3-methylsulfanylpropyl)urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(oxan-4-yl)urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxamide;N-[4-(3-ethynylanilino)quinazolin-6-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 159578647
1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6,8-difluoro-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 159616424
9-(2-aminopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 159641423
6-(2-aminopyrimidin-5-yl)-N-cyclohexyl-N-methyl-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-cyclohexyl-2-morpholin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-8-(trifluoromethyl)quinolin-4-amine;5-[6-(2-benzylpyrrolidin-1-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 161671165
4-ethyl-N-[4-(3-ethynylanilino)quinazolin-6-yl]piperazine-1-carboxamide;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1,1-bis(2-isocyanoethyl)urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1,1-bis(isocyanomethyl)urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]-3,3-difluoropiperidine-1-carboxamide;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-hexyl-1-methylurea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-1-prop-2-enylurea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-methyl-1-prop-2-ynylurea
CID 162083892
5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-piperazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172957482
1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-2-one;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(azetidin-1-yl)-6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-amine;4-N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(4-fluoropiperidin-1-yl)-2-N-methylpyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-N-(2-methoxyethyl)-6-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-N-[2-(methylamino)ethyl]-6-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,4-diamine
CID 174108252
1-[4-(3-Ethynylanilino)quinazolin-6-yl]-3-(2-morpholin-4-ylethyl)imidazol-2-one
CID 46176337

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 158799145) is (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(C)Cc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N(CCOC)CCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCC(N5CCCC5)CC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCCCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CCOCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(F)c(NC(=O)N4CC[C@@H](N(C)C)C4)cc23)c1.
What is the InChIKey of (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is ITGHRDUMUZVQRJ-BWKBLWMOSA-N. The full InChI is InChI=1S/C26H27FN6O.C25H19F2N5O.C23H23FN6O.C23H24FN5O3.C22H20FN5O.C21H18FN5O2/c1-2-18-6-5-7-19(14-18)30-25-21-15-24(22(27)16-23(21)28-17-29-25)31-26(34)33-12-8-20(9-13-33)32-10-3-4-11-32;1-3-16-6-5-9-19(11-16)30-24-20-12-23(21(27)13-22(20)28-15-29-24)31-25(33)32(2)14-17-7-4-8-18(26)10-17;1-4-15-6-5-7-16(10-15)27-22-18-11-21(19(24)12-20(18)25-14-26-22)28-23(31)30-9-8-17(13-30)29(2)3;1-4-16-6-5-7-17(12-16)27-22-18-13-21(19(24)14-20(18)25-15-26-22)28-23(30)29(8-10-31-2)9-11-32-3;1-2-15-7-6-8-16(11-15)26-21-17-12-20(18(23)13-19(17)24-14-25-21)27-22(29)28-9-4-3-5-10-28;1-2-14-4-3-5-15(10-14)25-20-16-11-19(17(22)12-18(16)23-13-24-20)26-21(28)27-6-8-29-9-7-27/h1,5-7,14-17,20H,3-4,8-13H2,(H,31,34)(H,28,29,30);1,4-13,15H,14H2,2H3,(H,31,33)(H,28,29,30);1,5-7,10-12,14,17H,8-9,13H2,2-3H3,(H,28,31)(H,25,26,27);1,5-7,12-15H,8-11H2,2-3H3,(H,28,30)(H,25,26,27);1,6-8,11-14H,3-5,9-10H2,(H,27,29)(H,24,25,26);1,3-5,10-13H,6-9H2,(H,26,28)(H,23,24,25)/t;;17-;;;/m..1.../s1.
What are the key properties of (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
(3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 2538.79 g/mol, XLogP of 25.03, 28 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]pyrrolidine-1-carboxamide;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea;3-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]morpholine-4-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]piperidine-1-carboxamide;N-[4-(3-ethynylanilino)-7-fluoroquinazolin-6-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 158799145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).