4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide

C17H15ClN4O2 — CID 137264161

IUPAC4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)19-9-10-20-17-21-14-4-2-1-3-13(14)16(24)22-17/h1-8H,9-10H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVPNJVWOOVKACMR-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.42
Rot. Bonds5

About 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide

4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide (PubChem CID 137264161) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
PubChem CID137264161
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)19-9-10-20-17-21-14-4-2-1-3-13(14)16(24)22-17/h1-8H,9-10H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVPNJVWOOVKACMR-UHFFFAOYSA-N
XLogP2.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 136666096
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
CID 137258168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide (CID 137264161) is 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide is O=C(NCCNc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide?
The InChIKey is VPNJVWOOVKACMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-7-5-11(6-8-12)15(23)19-9-10-20-17-21-14-4-2-1-3-13(14)16(24)22-17/h1-8H,9-10H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide?
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide has a molecular weight of 342.79 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 137264161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).