N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C30H26N4O3 — CID 55819706

IUPACN-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCc1ccncc1
InChIInChI=1S/C30H26N4O3/c1-20(22-9-10-28(29(16-22)36-2)37-19-21-11-14-31-15-12-21)33-30(35)25-17-27(23-6-5-13-32-18-23)34-26-8-4-3-7-24(25)26/h3-18,20H,19H2,1-2H3,(H,33,35)
InChIKeyJLBAAMLWPHUNHF-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.77
Rot. Bonds8

About N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55819706) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55819706
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC NameN-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCc1ccncc1
InChIInChI=1S/C30H26N4O3/c1-20(22-9-10-28(29(16-22)36-2)37-19-21-11-14-31-15-12-21)33-30(35)25-17-27(23-6-5-13-32-18-23)34-26-8-4-3-7-24(25)26/h3-18,20H,19H2,1-2H3,(H,33,35)
InChIKeyJLBAAMLWPHUNHF-UHFFFAOYSA-N
XLogP5.77
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-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

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55807945
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55819706) is N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is COc1cc(C(C)NC(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OCc1ccncc1.
What is the InChIKey of N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is JLBAAMLWPHUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3/c1-20(22-9-10-28(29(16-22)36-2)37-19-21-11-14-31-15-12-21)33-30(35)25-17-27(23-6-5-13-32-18-23)34-26-8-4-3-7-24(25)26/h3-18,20H,19H2,1-2H3,(H,33,35).
What are the key properties of N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55819706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).