9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one

C14H8F3NO — CID 122422631

IUPAC9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
SMILESO=c1c(C(F)(F)F)ccc2ccc3ccc[nH]c3c12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-6-5-8-3-4-9-2-1-7-18-12(9)11(8)13(10)19/h1-7,18H
InChIKeySSYZEGMOZIVENV-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.70
Rot. Bonds

About 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one

9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one (PubChem CID 122422631) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
PubChem CID122422631
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
SMILESO=c1c(C(F)(F)F)ccc2ccc3ccc[nH]c3c12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)10-6-5-8-3-4-9-2-1-7-18-12(9)11(8)13(10)19/h1-7,18H
InChIKeySSYZEGMOZIVENV-UHFFFAOYSA-N
XLogP3.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-Hydroxybenzo(h)quinoline
CID 11816407
5-ethyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 23244054
Benzo(f)quinolin-9-ol
CID 188875
8-Hydroxybenzo[h]quinoline
CID 55268579
4-Methyl-10-hydroxybenzoquinoline
CID 102458884
5,6-dihydro-1H-quinolin-4-one;2,2,2-trifluoroacetic acid
CID 68627567
7-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 118352654
1-[7-(1,1-Difluoropropyl)-4-methyl-1,8a-dihydroquinolin-3-yl]ethanone
CID 142910327
5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 147695886
2-methyl-5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 149885737
5-(trifluoromethyl)-1H-benzo[h]quinolin-10-one
CID 161212495
8-fluoro-6,7-dihydro-1H-quinolin-4-one
CID 167151910

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The IUPAC name of 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one (CID 122422631) is 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one.
What is the SMILES notation for 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The canonical SMILES for 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one is O=c1c(C(F)(F)F)ccc2ccc3ccc[nH]c3c12.
What is the InChIKey of 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
The InChIKey is SSYZEGMOZIVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)10-6-5-8-3-4-9-2-1-7-18-12(9)11(8)13(10)19/h1-7,18H.
What are the key properties of 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one?
9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one has a molecular weight of 263.22 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-1H-benzo[h]quinolin-10-one is sourced from PubChem (CID 122422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).