N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

C23H19N3O2 — CID 3554156

IUPACN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-28-22-11-5-2-7-17(22)15-25-23(27)19-13-21(16-8-6-12-24-14-16)26-20-10-4-3-9-18(19)20/h2-14H,15H2,1H3,(H,25,27)
InChIKeyIGAVJQCSNKESCR-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.24
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3554156) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3554156
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-28-22-11-5-2-7-17(22)15-25-23(27)19-13-21(16-8-6-12-24-14-16)26-20-10-4-3-9-18(19)20/h2-14H,15H2,1H3,(H,25,27)
InChIKeyIGAVJQCSNKESCR-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 3554156) is N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is IGAVJQCSNKESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-22-11-5-2-7-17(22)15-25-23(27)19-13-21(16-8-6-12-24-14-16)26-20-10-4-3-9-18(19)20/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3554156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).