1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea

C20H27N3O2 — CID 110326400

IUPAC1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCc1cc(C)c2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H27N3O2/c1-13-10-14(2)17-12-15(19(24)23-18(17)11-13)8-9-21-20(25)22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyCSRPOIBDGXFAIY-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.32
Rot. Bonds4

About 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea (PubChem CID 110326400) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
PubChem CID110326400
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
SMILESCc1cc(C)c2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H27N3O2/c1-13-10-14(2)17-12-15(19(24)23-18(17)11-13)8-9-21-20(25)22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyCSRPOIBDGXFAIY-UHFFFAOYSA-N
XLogP3.32
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609150
1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110325752
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)thiourea
CID 3171200
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1133934
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 649129
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
3-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141207

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea (CID 110326400) is 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea is Cc1cc(C)c2cc(CCNC(=O)NC3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
The InChIKey is CSRPOIBDGXFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-10-14(2)17-12-15(19(24)23-18(17)11-13)8-9-21-20(25)22-16-6-4-3-5-7-16/h10-12,16H,3-9H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea has a molecular weight of 341.46 g/mol, XLogP of 3.32, 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-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea is sourced from PubChem (CID 110326400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).