N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide

C19H18N2O3 — CID 2122050

IUPACN-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C19H18N2O3/c1-12-8-17(16-6-4-5-7-18(16)20-12)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyYGJSMFPZNRTHKI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.81
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide

N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 2122050) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
PubChem CID2122050
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1
InChIInChI=1S/C19H18N2O3/c1-12-8-17(16-6-4-5-7-18(16)20-12)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyYGJSMFPZNRTHKI-UHFFFAOYSA-N
XLogP3.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide (CID 2122050) is N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide is COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is YGJSMFPZNRTHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-17(16-6-4-5-7-18(16)20-12)19(22)21-13-9-14(23-2)11-15(10-13)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide?
N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2122050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).