N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide

C18H18N4O2 — CID 110702531

IUPACN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-2-22(12-9-13-7-10-19-11-8-13)17(23)16-14-5-3-4-6-15(14)20-18(24)21-16/h3-8,10-11H,2,9,12H2,1H3,(H,20,21,24)
InChIKeyZUNNQRGBVIBLLK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.02
Rot. Bonds5

About N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide

N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide (PubChem CID 110702531) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide
PubChem CID110702531
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-2-22(12-9-13-7-10-19-11-8-13)17(23)16-14-5-3-4-6-15(14)20-18(24)21-16/h3-8,10-11H,2,9,12H2,1H3,(H,20,21,24)
InChIKeyZUNNQRGBVIBLLK-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-4-carboxamide
CID 110694438
N-ethyl-3-(2-methyl-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 110683519
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849774
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-(3-methylbutyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide (CID 110702531) is N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide is CCN(CCc1ccncc1)C(=O)c1nc(=O)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide?
The InChIKey is ZUNNQRGBVIBLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-22(12-9-13-7-10-19-11-8-13)17(23)16-14-5-3-4-6-15(14)20-18(24)21-16/h3-8,10-11H,2,9,12H2,1H3,(H,20,21,24).
What are the key properties of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide?
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).