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

C17H16ClN3O2 — CID 110774999

IUPAC1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
SMILESO=C1CCc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-17(23)19-10-11-1-7-15-12(9-11)2-8-16(22)21-15/h1,3-7,9H,2,8,10H2,(H,21,22)(H2,19,20,23)
InChIKeyZTKBNUALKJSLMY-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.55
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea (PubChem CID 110774999) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
PubChem CID110774999
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
SMILESO=C1CCc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-17(23)19-10-11-1-7-15-12(9-11)2-8-16(22)21-15/h1,3-7,9H,2,8,10H2,(H,21,22)(H2,19,20,23)
InChIKeyZTKBNUALKJSLMY-UHFFFAOYSA-N
XLogP3.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea with MolForge

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Related Compounds

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
1-(3-chlorophenyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
CID 110774980
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
2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781570
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-(3-chlorophenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768484
1-[(4-cyclopropylphenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)urea
CID 119048802
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea (CID 110774999) is 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea is O=C1CCc2cc(CNC(=O)Nc3ccc(Cl)cc3)ccc2N1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The InChIKey is ZTKBNUALKJSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-17(23)19-10-11-1-7-15-12(9-11)2-8-16(22)21-15/h1,3-7,9H,2,8,10H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea has a molecular weight of 329.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea is sourced from PubChem (CID 110774999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).