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

C22H15F3N4O2 — CID 58552851

IUPACN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccncc3)cccc2c1=O
InChIInChI=1S/C22H15F3N4O2/c1-29-19(14-4-2-5-15(12-14)22(23,24)25)28-18-16(21(29)31)6-3-7-17(18)27-20(30)13-8-10-26-11-9-13/h2-12H,1H3,(H,27,30)
InChIKeyDWEBYRKNVRRGAG-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.27
Rot. Bonds3

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

N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide (PubChem CID 58552851) 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-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide
PubChem CID58552851
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide
SMILESCn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccncc3)cccc2c1=O
InChIInChI=1S/C22H15F3N4O2/c1-29-19(14-4-2-5-15(12-14)22(23,24)25)28-18-16(21(29)31)6-3-7-17(18)27-20(30)13-8-10-26-11-9-13/h2-12H,1H3,(H,27,30)
InChIKeyDWEBYRKNVRRGAG-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-2-carboxamide
CID 45255149
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
CID 45255145
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 45256868
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 166364749
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
CID 58552888
4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622198
4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16746953

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide (CID 58552851) is N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide is Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(NC(=O)c3ccncc3)cccc2c1=O.
What is the InChIKey of N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-carboxamide?
The InChIKey is DWEBYRKNVRRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-29-19(14-4-2-5-15(12-14)22(23,24)25)28-18-16(21(29)31)6-3-7-17(18)27-20(30)13-8-10-26-11-9-13/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-4-carboxamide?
N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 58552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).