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

C22H17N3O2 — CID 46539313

IUPACN-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-17-7-5-15(6-8-17)14-24-22(27)19-13-21(16-9-11-23-12-10-16)25-20-4-2-1-3-18(19)20/h1-13,26H,14H2,(H,24,27)
InChIKeyINWIJZJOMNIVGR-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.93
Rot. Bonds4

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

N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 46539313) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID46539313
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-17-7-5-15(6-8-17)14-24-22(27)19-13-21(16-9-11-23-12-10-16)25-20-4-2-1-3-18(19)20/h1-13,26H,14H2,(H,24,27)
InChIKeyINWIJZJOMNIVGR-UHFFFAOYSA-N
XLogP3.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 78796877
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 46539313) is N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCc1ccc(O)cc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is INWIJZJOMNIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-17-7-5-15(6-8-17)14-24-22(27)19-13-21(16-9-11-23-12-10-16)25-20-4-2-1-3-18(19)20/h1-13,26H,14H2,(H,24,27).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 46539313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).