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

C17H14ClN3O2 — CID 135570413

IUPAC3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-21(17(23)11-5-4-6-12(18)9-11)10-15-19-14-8-3-2-7-13(14)16(22)20-15/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyVJLVVLSWRXDVSQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.85
Rot. Bonds3

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

3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135570413) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135570413
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-21(17(23)11-5-4-6-12(18)9-11)10-15-19-14-8-3-2-7-13(14)16(22)20-15/h2-9H,10H2,1H3,(H,19,20,22)
InChIKeyVJLVVLSWRXDVSQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135697663
3-chloro-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135722249
3-chloro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135429004
4-chloro-N-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135893643
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
N-[3-[(3-chlorobenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629295
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135767538
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135570413) is 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is VJLVVLSWRXDVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-21(17(23)11-5-4-6-12(18)9-11)10-15-19-14-8-3-2-7-13(14)16(22)20-15/h2-9H,10H2,1H3,(H,19,20,22).
What are the key properties of 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 327.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135570413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).