N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

C24H21N3O2 — CID 86972801

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c28-19-11-9-17(10-12-19)5-3-14-26-24(29)21-15-23(18-6-4-13-25-16-18)27-22-8-2-1-7-20(21)22/h1-2,4,6-13,15-16,28H,3,5,14H2,(H,26,29)
InChIKeyGXAYAMKBWCCVJI-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.36
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 86972801) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID86972801
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NCCCc1ccc(O)cc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c28-19-11-9-17(10-12-19)5-3-14-26-24(29)21-15-23(18-6-4-13-25-16-18)27-22-8-2-1-7-20(21)22/h1-2,4,6-13,15-16,28H,3,5,14H2,(H,26,29)
InChIKeyGXAYAMKBWCCVJI-UHFFFAOYSA-N
XLogP4.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 86972801) is N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NCCCc1ccc(O)cc1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is GXAYAMKBWCCVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-19-11-9-17(10-12-19)5-3-14-26-24(29)21-15-23(18-6-4-13-25-16-18)27-22-8-2-1-7-20(21)22/h1-2,4,6-13,15-16,28H,3,5,14H2,(H,26,29).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 86972801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).