N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide

C26H30N2O3 — CID 1459156

IUPACN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CCCCC3)cc2c1
InChIInChI=1S/C26H30N2O3/c1-3-31-23-13-14-24-20(16-23)15-21(25(29)27-24)17-28(22-7-5-4-6-8-22)26(30)19-11-9-18(2)10-12-19/h9-16,22H,3-8,17H2,1-2H3,(H,27,29)
InChIKeyRGWSDWPXNPCKMB-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.21
Rot. Bonds6

About N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide

N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide (PubChem CID 1459156) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
PubChem CID1459156
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CCCCC3)cc2c1
InChIInChI=1S/C26H30N2O3/c1-3-31-23-13-14-24-20(16-23)15-21(25(29)27-24)17-28(22-7-5-4-6-8-22)26(30)19-11-9-18(2)10-12-19/h9-16,22H,3-8,17H2,1-2H3,(H,27,29)
InChIKeyRGWSDWPXNPCKMB-UHFFFAOYSA-N
XLogP5.21
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1457654
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172067
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194801
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3172068

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide (CID 1459156) is N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide is CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C)cc3)C3CCCCC3)cc2c1.
What is the InChIKey of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
The InChIKey is RGWSDWPXNPCKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-31-23-13-14-24-20(16-23)15-21(25(29)27-24)17-28(22-7-5-4-6-8-22)26(30)19-11-9-18(2)10-12-19/h9-16,22H,3-8,17H2,1-2H3,(H,27,29).
What are the key properties of N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide?
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide has a molecular weight of 418.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 1459156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).