2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C23H19N3O2 — CID 4608632

IUPAC2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O2/c1-28-18-8-4-7-17(12-18)22-13-20(19-9-2-3-10-21(19)26-22)23(27)25-15-16-6-5-11-24-14-16/h2-14H,15H2,1H3,(H,25,27)
InChIKeyBPWHTHGPVTXZLO-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 4608632) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID4608632
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1
InChIInChI=1S/C23H19N3O2/c1-28-18-8-4-7-17(12-18)22-13-20(19-9-2-3-10-21(19)26-22)23(27)25-15-16-6-5-11-24-14-16/h2-14H,15H2,1H3,(H,25,27)
InChIKeyBPWHTHGPVTXZLO-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 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 4608632) is 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is BPWHTHGPVTXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-18-8-4-7-17(12-18)22-13-20(19-9-2-3-10-21(19)26-22)23(27)25-15-16-6-5-11-24-14-16/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-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 2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4608632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).