N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C26H23ClN2O2 — CID 3193943

IUPACN-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C26H23ClN2O2/c1-2-18-10-13-24-21(14-18)15-22(25(30)28-24)17-29(16-19-8-11-23(27)12-9-19)26(31)20-6-4-3-5-7-20/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyUOCOHEVPIWDDIQ-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.59
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 3193943) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID3193943
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C26H23ClN2O2/c1-2-18-10-13-24-21(14-18)15-22(25(30)28-24)17-29(16-19-8-11-23(27)12-9-19)26(31)20-6-4-3-5-7-20/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyUOCOHEVPIWDDIQ-UHFFFAOYSA-N
XLogP5.59
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 3194694
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 1453611
3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430688
1-benzyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 1430433
3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255
1-benzyl-3-(3-ethoxypropyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3176951
4-chloro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2987726
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 40595015
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459218
2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459108
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 3193943) is N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)cc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is UOCOHEVPIWDDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-2-18-10-13-24-21(14-18)15-22(25(30)28-24)17-29(16-19-8-11-23(27)12-9-19)26(31)20-6-4-3-5-7-20/h3-15H,2,16-17H2,1H3,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 430.94 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 3193943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).