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

C18H17N3O3 — CID 136767880

IUPAC4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)17(22)19-11-10-16-20-15-5-3-2-4-14(15)18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyOOTQBPLLAAXYGL-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.90
Rot. Bonds5

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

4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (PubChem CID 136767880) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
PubChem CID136767880
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)17(22)19-11-10-16-20-15-5-3-2-4-14(15)18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyOOTQBPLLAAXYGL-UHFFFAOYSA-N
XLogP1.90
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[4-methyl-5-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
CID 135410570
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135953948
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782954
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831778
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
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]-4-butoxybenzamide
CID 4917285
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide (CID 136767880) is 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
The InChIKey is OOTQBPLLAAXYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)17(22)19-11-10-16-20-15-5-3-2-4-14(15)18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide?
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 136767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).