1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea

C21H23N3O2 — CID 97033524

IUPAC1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
SMILESCCC(CNC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-15(16-8-4-3-5-9-16)13-22-21(26)23-14-17-12-20(25)24-19-11-7-6-10-18(17)19/h3-12,15H,2,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyQUZYGYKBRAMKRW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds6

About 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea

1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea (PubChem CID 97033524) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea.

Molecular Properties

Compound Name1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
PubChem CID97033524
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
SMILESCCC(CNC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-15(16-8-4-3-5-9-16)13-22-21(26)23-14-17-12-20(25)24-19-11-7-6-10-18(17)19/h3-12,15H,2,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyQUZYGYKBRAMKRW-UHFFFAOYSA-N
XLogP3.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea with MolForge

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Related Compounds

2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea?
The IUPAC name of 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea (CID 97033524) is 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea.
What is the SMILES notation for 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea?
The canonical SMILES for 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea is CCC(CNC(=O)NCc1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea?
The InChIKey is QUZYGYKBRAMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-15(16-8-4-3-5-9-16)13-22-21(26)23-14-17-12-20(25)24-19-11-7-6-10-18(17)19/h3-12,15H,2,13-14H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea?
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea has a molecular weight of 349.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea is sourced from PubChem (CID 97033524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).