N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H21ClN2O3 — CID 1459205

IUPACN-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(C)=O)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-3-27-18-8-9-20-16(11-18)10-17(21(26)23-20)13-24(14(2)25)12-15-6-4-5-7-19(15)22/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyCIVLTCXTONXFLQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.13
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 1459205) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID1459205
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(C)=O)cc2c1
InChIInChI=1S/C21H21ClN2O3/c1-3-27-18-8-9-20-16(11-18)10-17(21(26)23-20)13-24(14(2)25)12-15-6-4-5-7-19(15)22/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyCIVLTCXTONXFLQ-UHFFFAOYSA-N
XLogP4.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
CID 1437233
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 1459141
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430930
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 1459246
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061
3-chloro-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 1459171
3-[[(2-chlorophenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3200400
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 1459205) is N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(C)=O)cc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is CIVLTCXTONXFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-27-18-8-9-20-16(11-18)10-17(21(26)23-20)13-24(14(2)25)12-15-6-4-5-7-19(15)22/h4-11H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 1459205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).