N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide

C22H15F3N4O2 — CID 45255149

IUPACN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccccn3)cccc2c1=O
InChIInChI=1S/C22H15F3N4O2/c1-29-19(13-6-4-7-14(12-13)22(23,24)25)28-18-15(21(29)31)8-5-10-16(18)27-20(30)17-9-2-3-11-26-17/h2-12H,1H3,(H,27,30)
InChIKeyFHLJIOYSKRKCES-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.27
Rot. Bonds3

About N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide

N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide (PubChem CID 45255149) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
PubChem CID45255149
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccccn3)cccc2c1=O
InChIInChI=1S/C22H15F3N4O2/c1-29-19(13-6-4-7-14(12-13)22(23,24)25)28-18-15(21(29)31)8-5-10-16(18)27-20(30)17-9-2-3-11-26-17/h2-12H,1H3,(H,27,30)
InChIKeyFHLJIOYSKRKCES-UHFFFAOYSA-N
XLogP4.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide
CID 58552851
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
CID 45255145
N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
CID 58552888
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 45256868
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
8-amino-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one;N-[4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-8-yl]pyrazine-2-carboxamide;pyrazine-2-carboxylic acid
CID 160508527
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 139944293
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide (CID 45255149) is N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide is Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccccn3)cccc2c1=O.
What is the InChIKey of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide?
The InChIKey is FHLJIOYSKRKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-29-19(13-6-4-7-14(12-13)22(23,24)25)28-18-15(21(29)31)8-5-10-16(18)27-20(30)17-9-2-3-11-26-17/h2-12H,1H3,(H,27,30).
What are the key properties of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide?
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 45255149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).