1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C18H23N3O2 — CID 110324549

IUPAC1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2cc(CNC(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H23N3O2/c1-12-7-8-13-10-14(17(22)21-16(13)9-12)11-19-18(23)20-15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyPGYZDGFKNQXVBL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds3

About 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 110324549) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID110324549
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2cc(CNC(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H23N3O2/c1-12-7-8-13-10-14(17(22)21-16(13)9-12)11-19-18(23)20-15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyPGYZDGFKNQXVBL-UHFFFAOYSA-N
XLogP2.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7141127
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3195105
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 110324549) is 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1ccc2cc(CNC(=O)NC3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is PGYZDGFKNQXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-7-8-13-10-14(17(22)21-16(13)9-12)11-19-18(23)20-15-5-3-2-4-6-15/h7-10,15H,2-6,11H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 110324549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).