N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H19N3O2 — CID 42654572

IUPACN-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-22(17-6-2-1-3-7-17)15-25-23(28)19-14-21(16-10-12-24-13-11-16)26-20-9-5-4-8-18(19)20/h1-14,22,27H,15H2,(H,25,28)
InChIKeyCJOAVFAPMOYVEJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.76
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 42654572) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID42654572
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-22(17-6-2-1-3-7-17)15-25-23(28)19-14-21(16-10-12-24-13-11-16)26-20-9-5-4-8-18(19)20/h1-14,22,27H,15H2,(H,25,28)
InChIKeyCJOAVFAPMOYVEJ-UHFFFAOYSA-N
XLogP3.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.76
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-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-phenylquinoline-4-carboxamide
CID 86981104
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
CID 166201340
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 42654572) is N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCC(O)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CJOAVFAPMOYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(17-6-2-1-3-7-17)15-25-23(28)19-14-21(16-10-12-24-13-11-16)26-20-9-5-4-8-18(19)20/h1-14,22,27H,15H2,(H,25,28).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 42654572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).