1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C17H21N3O2 — CID 110662673

IUPAC1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)NC3CCCC3)cc2c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-15-12(8-11)9-13(16(21)20-15)10-18-17(22)19-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyHPYLKJZVQYDJLK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 110662673) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID110662673
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)NC3CCCC3)cc2c1
InChIInChI=1S/C17H21N3O2/c1-11-6-7-15-12(8-11)9-13(16(21)20-15)10-18-17(22)19-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyHPYLKJZVQYDJLK-UHFFFAOYSA-N
XLogP2.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616721
cyclohexyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447307
3-cyclohexyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141375
1-cyclopentyl-3-ethyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 863738
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616696
6,8-dimethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110616698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 110662673) is 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1ccc2[nH]c(=O)c(CNC(=O)NC3CCCC3)cc2c1.
What is the InChIKey of 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is HPYLKJZVQYDJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-7-15-12(8-11)9-13(16(21)20-15)10-18-17(22)19-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 110662673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).