N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide

C22H18N2O2 — CID 111112184

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1cccc2ncccc12
InChIInChI=1S/C22H18N2O2/c25-21(17-11-10-15-5-1-2-6-16(15)13-17)14-24-22(26)19-7-3-9-20-18(19)8-4-12-23-20/h1-13,21,25H,14H2,(H,24,26)
InChIKeyFWZJOOYONIOUQK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide (PubChem CID 111112184) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
PubChem CID111112184
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1cccc2ncccc12
InChIInChI=1S/C22H18N2O2/c25-21(17-11-10-15-5-1-2-6-16(15)13-17)14-24-22(26)19-7-3-9-20-18(19)8-4-12-23-20/h1-13,21,25H,14H2,(H,24,26)
InChIKeyFWZJOOYONIOUQK-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-ethyl-N-naphthalen-2-ylquinoline-5-carboxamide
CID 60607375
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]naphthalene-1-carboxamide
CID 95986596
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 111109292
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide (CID 111112184) is N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide is O=C(NCC(O)c1ccc2ccccc2c1)c1cccc2ncccc12.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide?
The InChIKey is FWZJOOYONIOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21(17-11-10-15-5-1-2-6-16(15)13-17)14-24-22(26)19-7-3-9-20-18(19)8-4-12-23-20/h1-13,21,25H,14H2,(H,24,26).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide is sourced from PubChem (CID 111112184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).