2-octyl-3-phenyl-1H-quinolin-4-one

C23H27NO — CID 135391605

IUPAC2-octyl-3-phenyl-1H-quinolin-4-one
SMILESCCCCCCCCc1[nH]c2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H27NO/c1-2-3-4-5-6-10-17-21-22(18-13-8-7-9-14-18)23(25)19-15-11-12-16-20(19)24-21/h7-9,11-16H,2-6,10,17H2,1H3,(H,24,25)
InChIKeyNYBHBHYSJMNTMV-UHFFFAOYSA-N
MW333.48 g/mol
LogP6.10
Rot. Bonds8

About 2-octyl-3-phenyl-1H-quinolin-4-one

2-octyl-3-phenyl-1H-quinolin-4-one (PubChem CID 135391605) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-octyl-3-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-octyl-3-phenyl-1H-quinolin-4-one
PubChem CID135391605
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name2-octyl-3-phenyl-1H-quinolin-4-one
SMILESCCCCCCCCc1[nH]c2ccccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C23H27NO/c1-2-3-4-5-6-10-17-21-22(18-13-8-7-9-14-18)23(25)19-15-11-12-16-20(19)24-21/h7-9,11-16H,2-6,10,17H2,1H3,(H,24,25)
InChIKeyNYBHBHYSJMNTMV-UHFFFAOYSA-N
XLogP6.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
CID 70277732
3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
N-[3-(3-phenyl-1H-indol-2-yl)propyl]acetamide
CID 71418732
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
2-(2-pentyl-1H-indol-3-yl)-1,3-thiazole
CID 12066004
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-1H-quinolin-4-one
CID 172676765

Frequently Asked Questions

What is the IUPAC name of 2-octyl-3-phenyl-1H-quinolin-4-one?
The IUPAC name of 2-octyl-3-phenyl-1H-quinolin-4-one (CID 135391605) is 2-octyl-3-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 2-octyl-3-phenyl-1H-quinolin-4-one?
The canonical SMILES for 2-octyl-3-phenyl-1H-quinolin-4-one is CCCCCCCCc1[nH]c2ccccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-octyl-3-phenyl-1H-quinolin-4-one?
The InChIKey is NYBHBHYSJMNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-2-3-4-5-6-10-17-21-22(18-13-8-7-9-14-18)23(25)19-15-11-12-16-20(19)24-21/h7-9,11-16H,2-6,10,17H2,1H3,(H,24,25).
What are the key properties of 2-octyl-3-phenyl-1H-quinolin-4-one?
2-octyl-3-phenyl-1H-quinolin-4-one has a molecular weight of 333.48 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-3-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 135391605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).