N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide

C11H7F3N2O2 — CID 154340640

IUPACN-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
SMILESO=NC(=O)C1=C(C(F)(F)F)c2ccccc2NC1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(17)16-18/h1-4,15H,5H2
InChIKeyVQBMNZNKJOGXFX-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.72
Rot. Bonds1

About N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide

N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide (PubChem CID 154340640) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
PubChem CID154340640
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC NameN-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
SMILESO=NC(=O)C1=C(C(F)(F)F)c2ccccc2NC1
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(17)16-18/h1-4,15H,5H2
InChIKeyVQBMNZNKJOGXFX-UHFFFAOYSA-N
XLogP2.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
CID 141004202
5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 175060030
4-(trifluoromethyl)-1,2-dihydroquinoline
CID 145013105
3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;2,2,2-trifluoroacetic acid
CID 22905129
3-bromo-1,2-dihydroquinolin-4-ol
CID 123830845
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
CID 121437311
N-[(Z)-1,2-dihydroindol-3-ylideneamino]-N-phenylacetamide
CID 135622886
3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
CID 139776608
5,6-dihydrobenzo[c][2,6]naphthyridine
CID 123355188
(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene
CID 143094564
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
CID 162419046

Frequently Asked Questions

What is the IUPAC name of N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide?
The IUPAC name of N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide (CID 154340640) is N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide is O=NC(=O)C1=C(C(F)(F)F)c2ccccc2NC1.
What is the InChIKey of N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide?
The InChIKey is VQBMNZNKJOGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-3-1-2-4-8(6)15-5-7(9)10(17)16-18/h1-4,15H,5H2.
What are the key properties of N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide?
N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide has a molecular weight of 256.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 154340640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).