N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide

C24H22N4O2 — CID 117090736

IUPACN-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C24H22N4O2/c29-24(26-13-14-30-19-8-2-1-3-9-19)21-15-23(27-17-18-7-6-12-25-16-18)28-22-11-5-4-10-20(21)22/h1-12,15-16H,13-14,17H2,(H,26,29)(H,27,28)
InChIKeyWJXNGJZDYNEQJA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.05
Rot. Bonds8

About N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide

N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide (PubChem CID 117090736) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
PubChem CID117090736
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C24H22N4O2/c29-24(26-13-14-30-19-8-2-1-3-9-19)21-15-23(27-17-18-7-6-12-25-16-18)28-22-11-5-4-10-20(21)22/h1-12,15-16H,13-14,17H2,(H,26,29)(H,27,28)
InChIKeyWJXNGJZDYNEQJA-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471732
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)quinoline-4-carboxamide
CID 117094608
2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235487
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329883
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide (CID 117090736) is N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide is O=C(NCCOc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The InChIKey is WJXNGJZDYNEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(26-13-14-30-19-8-2-1-3-9-19)21-15-23(27-17-18-7-6-12-25-16-18)28-22-11-5-4-10-20(21)22/h1-12,15-16H,13-14,17H2,(H,26,29)(H,27,28).
What are the key properties of N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide is sourced from PubChem (CID 117090736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).