N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide

C18H17N3O3 — CID 135638515

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-18(23)16-20-15-5-3-2-4-14(15)17(22)21-16/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRVRWGNOMMJFSPT-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135638515) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135638515
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-18(23)16-20-15-5-3-2-4-14(15)17(22)21-16/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyRVRWGNOMMJFSPT-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

N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135953948
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[3-[methyl-(2-phenylacetyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658274

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 135638515) is N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide is COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is RVRWGNOMMJFSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-18(23)16-20-15-5-3-2-4-14(15)17(22)21-16/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide 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 N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135638515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).