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

C25H23N3O2 — CID 50798269

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-17(2)30-20-11-9-18(10-12-20)15-27-25(29)22-14-24(19-6-5-13-26-16-19)28-23-8-4-3-7-21(22)23/h3-14,16-17H,15H2,1-2H3,(H,27,29)
InChIKeyFIZDFNYHQDNHRL-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.01
Rot. Bonds6

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

N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 50798269) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID50798269
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-17(2)30-20-11-9-18(10-12-20)15-27-25(29)22-14-24(19-6-5-13-26-16-19)28-23-8-4-3-7-21(22)23/h3-14,16-17H,15H2,1-2H3,(H,27,29)
InChIKeyFIZDFNYHQDNHRL-UHFFFAOYSA-N
XLogP5.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
2-(3-propan-2-yloxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1261936
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55619404
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339118
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 50798269) is N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is CC(C)Oc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is FIZDFNYHQDNHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(2)30-20-11-9-18(10-12-20)15-27-25(29)22-14-24(19-6-5-13-26-16-19)28-23-8-4-3-7-21(22)23/h3-14,16-17H,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 50798269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).