N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H21ClN2O2 — CID 1453710

IUPACN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C21H21ClN2O2/c1-13-8-9-16-10-18(21(26)23-20(16)14(13)2)12-24(15(3)25)11-17-6-4-5-7-19(17)22/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyWOTNPYDPDRQOJM-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.35
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 1453710) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID1453710
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C21H21ClN2O2/c1-13-8-9-16-10-18(21(26)23-20(16)14(13)2)12-24(15(3)25)11-17-6-4-5-7-19(17)22/h4-10H,11-12H2,1-3H3,(H,23,26)
InChIKeyWOTNPYDPDRQOJM-UHFFFAOYSA-N
XLogP4.35
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 1453710) is N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is WOTNPYDPDRQOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13-8-9-16-10-18(21(26)23-20(16)14(13)2)12-24(15(3)25)11-17-6-4-5-7-19(17)22/h4-10H,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 1453710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).