4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide

C16H13ClN4O — CID 66763665

IUPAC4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(Cl)c3)ncnc12
InChIInChI=1S/C16H13ClN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
InChIKeyDFCUXKSMRBIYFZ-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.99
Rot. Bonds4

About 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide

4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide (PubChem CID 66763665) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
PubChem CID66763665
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(Cl)c3)ncnc12
InChIInChI=1S/C16H13ClN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)
InChIKeyDFCUXKSMRBIYFZ-UHFFFAOYSA-N
XLogP2.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89044301
CID 89044301
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
4-[[3-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[2-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 158687312
4-[[3-[(7-methylisoquinolin-1-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762648
4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
4-[[3-[[4-(1H-imidazol-2-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763542
4-[[3-[[3-(3-methoxypropoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763383
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763033
4-[[3-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 147809448
4-[[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]methylamino]quinazoline-8-carboxamide
CID 66763555

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide (CID 66763665) is 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(Cl)c3)ncnc12.
What is the InChIKey of 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide?
The InChIKey is DFCUXKSMRBIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-4-1-3-10(7-11)8-19-16-13-6-2-5-12(15(18)22)14(13)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide?
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).