N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

C18H17N3O3 — CID 110702529

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDSPZYSOIGODFJU-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 110702529) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID110702529
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDSPZYSOIGODFJU-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-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
2-cyano-N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
CID 5236654
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135953948

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide (CID 110702529) is N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide is COc1ccc(CCNC(=O)c2nc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is DSPZYSOIGODFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-13-8-6-12(7-9-13)10-11-19-17(22)16-14-4-2-3-5-15(14)20-18(23)21-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-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]-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).