N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide

C19H12F6N2O3 — CID 88863659

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H12F6N2O3/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)26-16(29)15-13(8-28)12-3-1-2-4-14(12)27-17(15)30/h1-7,28H,8H2,(H,26,29)(H,27,30)
InChIKeyPFTMJJBWCSMBRV-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.31
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 88863659) has the molecular formula C19H12F6N2O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID88863659
Molecular FormulaC19H12F6N2O3
Molecular Weight430.30 g/mol
Exact Mass430.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H12F6N2O3/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)26-16(29)15-13(8-28)12-3-1-2-4-14(12)27-17(15)30/h1-7,28H,8H2,(H,26,29)(H,27,30)
InChIKeyPFTMJJBWCSMBRV-UHFFFAOYSA-N
XLogP4.31
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide 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 N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide (CID 88863659) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PFTMJJBWCSMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O3/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)26-16(29)15-13(8-28)12-3-1-2-4-14(12)27-17(15)30/h1-7,28H,8H2,(H,26,29)(H,27,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 88863659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).