N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide

C26H21F5N4O2 — CID 137169028

IUPACN-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37)
InChIKeyXQAWRPQETUPQHC-UHFFFAOYSA-N
MW516.47 g/mol
LogP5.88
Rot. Bonds6

About N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide

N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide (PubChem CID 137169028) has the molecular formula C26H21F5N4O2 and a molecular weight of 516.47 g/mol. Its IUPAC name is N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide
PubChem CID137169028
Molecular FormulaC26H21F5N4O2
Molecular Weight516.47 g/mol
Exact Mass516.16
IUPAC NameN-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37)
InChIKeyXQAWRPQETUPQHC-UHFFFAOYSA-N
XLogP5.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.47
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748020
2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748525
9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748637
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-3-carboxamide
CID 168271607
2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide
CID 6398883
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1r)-1-(Pyridin-2-Yl)ethyl]propanamide
CID 135566762

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide (CID 137169028) is N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide?
The InChIKey is XQAWRPQETUPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37).
What are the key properties of N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide?
N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide has a molecular weight of 516.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-quinazolin-2-yl]-3-pyridinyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 137169028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).