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

C18H17N3O2 — CID 136767873

IUPAC3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-12-5-4-6-13(11-12)17(22)19-10-9-16-20-15-8-3-2-7-14(15)18(23)21-16/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyPBPVXQYDLVUVDQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.20
Rot. Bonds4

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

3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (PubChem CID 136767873) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
PubChem CID136767873
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C18H17N3O2/c1-12-5-4-6-13(11-12)17(22)19-10-9-16-20-15-8-3-2-7-14(15)18(23)21-16/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyPBPVXQYDLVUVDQ-UHFFFAOYSA-N
XLogP2.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136662226
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
3-methyl-N-[(2R)-1-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 135877062
3-methyl-N-[(2S)-1-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 135877063
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (CID 136767873) is 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The InChIKey is PBPVXQYDLVUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-5-4-6-13(11-12)17(22)19-10-9-16-20-15-8-3-2-7-14(15)18(23)21-16/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 136767873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).