N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide

C23H16ClF3N4O — CID 58829569

IUPACN-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCc1c(Cl)cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H16ClF3N4O/c1-12-18(14-4-7-20-15(8-14)11-29-22(28)31-20)9-17(10-19(12)24)30-21(32)13-2-5-16(6-3-13)23(25,26)27/h2-11H,1H3,(H,30,32)(H2,28,29,31)
InChIKeyLDPVAPQKGGROHZ-UHFFFAOYSA-N
MW456.86 g/mol
LogP6.11
Rot. Bonds3

About N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide

N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 58829569) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
PubChem CID58829569
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCc1c(Cl)cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C23H16ClF3N4O/c1-12-18(14-4-7-20-15(8-14)11-29-22(28)31-20)9-17(10-19(12)24)30-21(32)13-2-5-16(6-3-13)23(25,26)27/h2-11H,1H3,(H,30,32)(H2,28,29,31)
InChIKeyLDPVAPQKGGROHZ-UHFFFAOYSA-N
XLogP6.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369
3-(2-aminoquinazolin-6-yl)-N-[2-[4-(dimethylamino)butylamino]-4-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 69465278
3-(2-aminoquinazolin-6-yl)-N-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 11525892
5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58830114
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]benzamide
CID 58829992
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
3-(2-aminoquinazolin-6-yl)-N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-4-methylbenzamide
CID 58829593
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]benzamide
CID 176903594
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]benzamide
CID 69463377

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide (CID 58829569) is N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide is Cc1c(Cl)cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LDPVAPQKGGROHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c1-12-18(14-4-7-20-15(8-14)11-29-22(28)31-20)9-17(10-19(12)24)30-21(32)13-2-5-16(6-3-13)23(25,26)27/h2-11H,1H3,(H,30,32)(H2,28,29,31).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide?
N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 456.86 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-5-chloro-4-methylphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 58829569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).