N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C20H20N2O3 — CID 2446246

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O3/c1-13-10-16(15-6-4-5-7-17(15)22-13)20(23)21-12-14-8-9-18(24-2)19(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyFIHLKZZLYCCZIB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.49
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 2446246) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID2446246
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1OC
InChIInChI=1S/C20H20N2O3/c1-13-10-16(15-6-4-5-7-17(15)22-13)20(23)21-12-14-8-9-18(24-2)19(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyFIHLKZZLYCCZIB-UHFFFAOYSA-N
XLogP3.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 2446246) is N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is FIHLKZZLYCCZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-16(15-6-4-5-7-17(15)22-13)20(23)21-12-14-8-9-18(24-2)19(11-14)25-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2446246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).