N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H15N3O2 — CID 39048110

IUPACN-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H15N3O2/c25-16-5-3-4-15(12-16)23-21(26)18-13-20(14-8-10-22-11-9-14)24-19-7-2-1-6-17(18)19/h1-13,25H,(H,23,26)
InChIKeyQDHQDTVIBHBJAT-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.25
Rot. Bonds3

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

N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 39048110) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID39048110
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C21H15N3O2/c25-16-5-3-4-15(12-16)23-21(26)18-13-20(14-8-10-22-11-9-14)24-19-7-2-1-6-17(18)19/h1-13,25H,(H,23,26)
InChIKeyQDHQDTVIBHBJAT-UHFFFAOYSA-N
XLogP4.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 39048110) is N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1cccc(O)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is QDHQDTVIBHBJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-16-5-3-4-15(12-16)23-21(26)18-13-20(14-8-10-22-11-9-14)24-19-7-2-1-6-17(18)19/h1-13,25H,(H,23,26).
What are the key properties of N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 39048110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).