1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H30ClN3O2 — CID 3194704

IUPAC1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H30ClN3O2/c1-2-18-12-13-24-20(14-18)15-21(25(31)29-24)17-30(16-19-8-6-7-11-23(19)27)26(32)28-22-9-4-3-5-10-22/h6-8,11-15,22H,2-5,9-10,16-17H2,1H3,(H,28,32)(H,29,31)
InChIKeyDWPZJNCZVLPXPF-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.79
Rot. Bonds6

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

1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 3194704) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID3194704
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H30ClN3O2/c1-2-18-12-13-24-20(14-18)15-21(25(31)29-24)17-30(16-19-8-6-7-11-23(19)27)26(32)28-22-9-4-3-5-10-22/h6-8,11-15,22H,2-5,9-10,16-17H2,1H3,(H,28,32)(H,29,31)
InChIKeyDWPZJNCZVLPXPF-UHFFFAOYSA-N
XLogP5.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
CID 3172399
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1375134
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1138179
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062
1-[(2-chlorophenyl)methyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 1430546
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194640
3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1430395
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1169379
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138134
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1138232
N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193943

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 3194704) is 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is DWPZJNCZVLPXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-2-18-12-13-24-20(14-18)15-21(25(31)29-24)17-30(16-19-8-6-7-11-23(19)27)26(32)28-22-9-4-3-5-10-22/h6-8,11-15,22H,2-5,9-10,16-17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 452.00 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 3194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).