N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide

C19H18N2O3 — CID 59192099

IUPACN-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H18N2O3/c1-23-17-6-3-7-18(24-2)15(17)12-21-19(22)14-8-9-16-13(11-14)5-4-10-20-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyZYVKPZOKCMDJHT-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.18
Rot. Bonds5

About N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide

N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192099) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID59192099
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
SMILESCOc1cccc(OC)c1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C19H18N2O3/c1-23-17-6-3-7-18(24-2)15(17)12-21-19(22)14-8-9-16-13(11-14)5-4-10-20-16/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyZYVKPZOKCMDJHT-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(2-fluoro-3-phenoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192109
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734840
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide (CID 59192099) is N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide is COc1cccc(OC)c1CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is ZYVKPZOKCMDJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-17-6-3-7-18(24-2)15(17)12-21-19(22)14-8-9-16-13(11-14)5-4-10-20-16/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide?
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).