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

C15H15F3N2O — CID 22279038

IUPAC7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NC3CCCC3)cc2[nH]1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-8-14(21)20-13-7-10(5-6-11(12)13)19-9-3-1-2-4-9/h5-9,19H,1-4H2,(H,20,21)
InChIKeyVEZDQMYLNFTOLW-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.90
Rot. Bonds2

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

7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279038) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279038
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NC3CCCC3)cc2[nH]1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-8-14(21)20-13-7-10(5-6-11(12)13)19-9-3-1-2-4-9/h5-9,19H,1-4H2,(H,20,21)
InChIKeyVEZDQMYLNFTOLW-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279038) is 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(NC3CCCC3)cc2[nH]1.
What is the InChIKey of 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is VEZDQMYLNFTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-8-14(21)20-13-7-10(5-6-11(12)13)19-9-3-1-2-4-9/h5-9,19H,1-4H2,(H,20,21).
What are the key properties of 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 296.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).