7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C17H13F3N2O — CID 22279210

IUPAC7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCc3ccccc3)cc2[nH]1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-9-16(23)22-15-8-12(6-7-13(14)15)21-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23)
InChIKeyAPNBSJGIIWSWOI-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.16
Rot. Bonds3

About 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279210) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279210
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCc3ccccc3)cc2[nH]1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-9-16(23)22-15-8-12(6-7-13(14)15)21-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23)
InChIKeyAPNBSJGIIWSWOI-UHFFFAOYSA-N
XLogP4.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279210) is 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(NCc3ccccc3)cc2[nH]1.
What is the InChIKey of 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is APNBSJGIIWSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-9-16(23)22-15-8-12(6-7-13(14)15)21-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23).
What are the key properties of 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 318.30 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).