2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide

C48H54Cl2N10O4 — CID 87953115

IUPAC2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(N4CC5CC4CN5)nc(C)c3c2)c(Cl)c1.Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(N(C)C)CC4)nc(C)c3c2)c(Cl)c1
InChIInChI=1S/C25H30ClN5O2.C23H24ClN5O2/c1-16-5-8-23(21(26)13-16)33-15-24(32)28-18-6-7-22-20(14-18)17(2)27-25(29-22)31-11-9-19(10-12-31)30(3)4;1-13-3-6-21(19(24)7-13)31-12-22(30)27-15-4-5-20-18(9-15)14(2)26-23(28-20)29-11-16-8-17(29)10-25-16/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,28,32);3-7,9,16-17,25H,8,10-12H2,1-2H3,(H,27,30)
InChIKeyWCNXRQSYGXTTOH-UHFFFAOYSA-N
MW905.93 g/mol
LogP7.92
Rot. Bonds11

About 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide

2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide (PubChem CID 87953115) has the molecular formula C48H54Cl2N10O4 and a molecular weight of 905.93 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide
PubChem CID87953115
Molecular FormulaC48H54Cl2N10O4
Molecular Weight905.93 g/mol
Exact Mass904.37
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc(N4CC5CC4CN5)nc(C)c3c2)c(Cl)c1.Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(N(C)C)CC4)nc(C)c3c2)c(Cl)c1
InChIInChI=1S/C25H30ClN5O2.C23H24ClN5O2/c1-16-5-8-23(21(26)13-16)33-15-24(32)28-18-6-7-22-20(14-18)17(2)27-25(29-22)31-11-9-19(10-12-31)30(3)4;1-13-3-6-21(19(24)7-13)31-12-22(30)27-15-4-5-20-18(9-15)14(2)26-23(28-20)29-11-16-8-17(29)10-25-16/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,28,32);3-7,9,16-17,25H,8,10-12H2,1-2H3,(H,27,30)
InChIKeyWCNXRQSYGXTTOH-UHFFFAOYSA-N
XLogP7.92
TPSA149.97 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.93
LogP ≤ 57.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide with MolForge

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Related Compounds

N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)quinazolin-6-yl]-2,3-bis(2,4-dichlorophenoxy)-N'-[2-[4-(dimethylamino)piperidin-1-yl]quinazolin-6-yl]butanediamide
CID 87952869
N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-[4-[(trifluoro-λ4-sulfanyl)methoxy]phenoxy]acetamide
CID 140504111
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide
CID 11712289
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 58646148
N-[4-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11713436
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952789
methyl 2-[[1-(4,6-dimethylquinazolin-2-yl)piperidine-4-carbonyl]-methylamino]acetate
CID 118755153
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-3-[4-(sulfanylmethoxy)phenyl]propanamide
CID 87909169
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide
CID 87909162

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide (CID 87953115) is 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide is Cc1ccc(OCC(=O)Nc2ccc3nc(N4CC5CC4CN5)nc(C)c3c2)c(Cl)c1.Cc1ccc(OCC(=O)Nc2ccc3nc(N4CCC(N(C)C)CC4)nc(C)c3c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide?
The InChIKey is WCNXRQSYGXTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2.C23H24ClN5O2/c1-16-5-8-23(21(26)13-16)33-15-24(32)28-18-6-7-22-20(14-18)17(2)27-25(29-22)31-11-9-19(10-12-31)30(3)4;1-13-3-6-21(19(24)7-13)31-12-22(30)27-15-4-5-20-18(9-15)14(2)26-23(28-20)29-11-16-8-17(29)10-25-16/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,28,32);3-7,9,16-17,25H,8,10-12H2,1-2H3,(H,27,30).
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide?
2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide has a molecular weight of 905.93 g/mol, XLogP of 7.92, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylquinazolin-6-yl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]acetamide is sourced from PubChem (CID 87953115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).