7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide

C21H22N2O2 — CID 18114437

IUPAC7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccc(C)cc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O2/c1-14-5-7-16(8-6-14)13-23(3)21(24)19-11-17-9-10-18(25-4)12-20(17)22-15(19)2/h5-12H,13H2,1-4H3
InChIKeyAGZODBQQRZNEOY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.13
Rot. Bonds4

About 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide

7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide (PubChem CID 18114437) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
PubChem CID18114437
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C)Cc3ccc(C)cc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O2/c1-14-5-7-16(8-6-14)13-23(3)21(24)19-11-17-9-10-18(25-4)12-20(17)22-15(19)2/h5-12H,13H2,1-4H3
InChIKeyAGZODBQQRZNEOY-UHFFFAOYSA-N
XLogP4.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 36917170
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
3-[ethyl-(7-methoxy-2-methylquinoline-3-carbonyl)amino]propanoic acid
CID 120516810
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide (CID 18114437) is 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)N(C)Cc3ccc(C)cc3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is AGZODBQQRZNEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-5-7-16(8-6-14)13-23(3)21(24)19-11-17-9-10-18(25-4)12-20(17)22-15(19)2/h5-12H,13H2,1-4H3.
What are the key properties of 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide?
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 18114437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).