N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide

C15H9Cl2N3O2 — CID 137108208

IUPACN-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H9Cl2N3O2/c16-9-5-3-7-11(12(9)17)19-15(22)13-18-10-6-2-1-4-8(10)14(21)20-13/h1-7H,(H,19,22)(H,18,20,21)
InChIKeyKAYCQIZZHAIBLU-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.48
Rot. Bonds2

About N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide

N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 137108208) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID137108208
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC NameN-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H9Cl2N3O2/c16-9-5-3-7-11(12(9)17)19-15(22)13-18-10-6-2-1-4-8(10)14(21)20-13/h1-7H,(H,19,22)(H,18,20,21)
InChIKeyKAYCQIZZHAIBLU-UHFFFAOYSA-N
XLogP3.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135538489
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136837271

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide (CID 137108208) is N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is KAYCQIZZHAIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-9-5-3-7-11(12(9)17)19-15(22)13-18-10-6-2-1-4-8(10)14(21)20-13/h1-7H,(H,19,22)(H,18,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 137108208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).