(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C17H19F3N2O2 — CID 95310315

IUPAC(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NC2(C(F)(F)F)CCCCC2)c2ccccc2N1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)16(8-4-1-5-9-16)22-15(24)12-10-14(23)21-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyPJBBFPQVFABCGW-LBPRGKRZSA-N
MW340.34 g/mol
LogP3.49
Rot. Bonds2

About (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 95310315) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID95310315
Molecular FormulaC17H19F3N2O2
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Name(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@H](C(=O)NC2(C(F)(F)F)CCCCC2)c2ccccc2N1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)16(8-4-1-5-9-16)22-15(24)12-10-14(23)21-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyPJBBFPQVFABCGW-LBPRGKRZSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 95310315) is (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@H](C(=O)NC2(C(F)(F)F)CCCCC2)c2ccccc2N1.
What is the InChIKey of (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PJBBFPQVFABCGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)16(8-4-1-5-9-16)22-15(24)12-10-14(23)21-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10H2,(H,21,23)(H,22,24)/t12-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[1-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95310315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).