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

C18H19N3O2 — CID 110775001

IUPAC1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
SMILESO=C1CCc2cc(CNC(=O)NCc3ccccc3)ccc2N1
InChIInChI=1S/C18H19N3O2/c22-17-9-7-15-10-14(6-8-16(15)21-17)12-20-18(23)19-11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,21,22)(H2,19,20,23)
InChIKeyMONJBUTUWSMYEC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.57
Rot. Bonds4

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

1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea (PubChem CID 110775001) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
PubChem CID110775001
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
SMILESO=C1CCc2cc(CNC(=O)NCc3ccccc3)ccc2N1
InChIInChI=1S/C18H19N3O2/c22-17-9-7-15-10-14(6-8-16(15)21-17)12-20-18(23)19-11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,21,22)(H2,19,20,23)
InChIKeyMONJBUTUWSMYEC-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
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
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
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
CID 26434790

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea (CID 110775001) is 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea is O=C1CCc2cc(CNC(=O)NCc3ccccc3)ccc2N1.
What is the InChIKey of 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
The InChIKey is MONJBUTUWSMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-9-7-15-10-14(6-8-16(15)21-17)12-20-18(23)19-11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11-12H2,(H,21,22)(H2,19,20,23).
What are the key properties of 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea?
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea has a molecular weight of 309.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea is sourced from PubChem (CID 110775001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).