1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea

C17H17N3O2 — CID 110774998

IUPAC1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
SMILESO=C1CCc2cc(CNC(=O)Nc3ccccc3)ccc2N1
InChIInChI=1S/C17H17N3O2/c21-16-9-7-13-10-12(6-8-15(13)20-16)11-18-17(22)19-14-4-2-1-3-5-14/h1-6,8,10H,7,9,11H2,(H,20,21)(H2,18,19,22)
InChIKeyGEOHBKCKRBESHT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds3

About 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea (PubChem CID 110774998) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
PubChem CID110774998
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
SMILESO=C1CCc2cc(CNC(=O)Nc3ccccc3)ccc2N1
InChIInChI=1S/C17H17N3O2/c21-16-9-7-13-10-12(6-8-15(13)20-16)11-18-17(22)19-14-4-2-1-3-5-14/h1-6,8,10H,7,9,11H2,(H,20,21)(H2,18,19,22)
InChIKeyGEOHBKCKRBESHT-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
CID 110774980
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea (CID 110774998) is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea is O=C1CCc2cc(CNC(=O)Nc3ccccc3)ccc2N1.
What is the InChIKey of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea?
The InChIKey is GEOHBKCKRBESHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16-9-7-13-10-12(6-8-15(13)20-16)11-18-17(22)19-14-4-2-1-3-5-14/h1-6,8,10H,7,9,11H2,(H,20,21)(H2,18,19,22).
What are the key properties of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea?
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea has a molecular weight of 295.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea is sourced from PubChem (CID 110774998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).