N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide

C24H21N3O4 — CID 664096

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1
InChIInChI=1S/C24H21N3O4/c1-30-19-9-10-20-17(13-19)12-18(23(28)26-20)15-27(21-7-3-4-8-22(21)31-2)24(29)16-6-5-11-25-14-16/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyMMOQYQHBLNVYMJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.79
Rot. Bonds6

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 664096) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID664096
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1
InChIInChI=1S/C24H21N3O4/c1-30-19-9-10-20-17(13-19)12-18(23(28)26-20)15-27(21-7-3-4-8-22(21)31-2)24(29)16-6-5-11-25-14-16/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyMMOQYQHBLNVYMJ-UHFFFAOYSA-N
XLogP3.79
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 664096) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is MMOQYQHBLNVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-19-9-10-20-17(13-19)12-18(23(28)26-20)15-27(21-7-3-4-8-22(21)31-2)24(29)16-6-5-11-25-14-16/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 664096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).