1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea

C19H25N3O2 — CID 110325752

IUPAC1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCc1cccc2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C19H25N3O2/c1-13-6-5-7-14-12-15(18(23)22-17(13)14)10-11-20-19(24)21-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyCNPGUZUWUASSJY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.01
Rot. Bonds4

About 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea (PubChem CID 110325752) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
PubChem CID110325752
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCc1cccc2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C19H25N3O2/c1-13-6-5-7-14-12-15(18(23)22-17(13)14)10-11-20-19(24)21-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyCNPGUZUWUASSJY-UHFFFAOYSA-N
XLogP3.01
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1138180
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1157151
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1138169
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea (CID 110325752) is 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea is Cc1cccc2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The InChIKey is CNPGUZUWUASSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-6-5-7-14-12-15(18(23)22-17(13)14)10-11-20-19(24)21-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea is sourced from PubChem (CID 110325752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).