N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide

C28H27F3N4O — CID 68946581

IUPACN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccccc4C(F)(F)F)c3)cc12
InChIInChI=1S/C28H27F3N4O/c1-4-35(5-2)26-23-16-21(13-14-25(23)32-18-33-26)20-10-8-9-19(15-20)17-34(3)27(36)22-11-6-7-12-24(22)28(29,30)31/h6-16,18H,4-5,17H2,1-3H3
InChIKeyLUVUXSPHUGQSDD-UHFFFAOYSA-N
MW492.55 g/mol
LogP6.43
Rot. Bonds7

About N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide

N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 68946581) has the molecular formula C28H27F3N4O and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID68946581
Molecular FormulaC28H27F3N4O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC NameN-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccccc4C(F)(F)F)c3)cc12
InChIInChI=1S/C28H27F3N4O/c1-4-35(5-2)26-23-16-21(13-14-25(23)32-18-33-26)20-10-8-9-19(15-20)17-34(3)27(36)22-11-6-7-12-24(22)28(29,30)31/h6-16,18H,4-5,17H2,1-3H3
InChIKeyLUVUXSPHUGQSDD-UHFFFAOYSA-N
XLogP6.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methylbenzamide
CID 57434970
N-[[5-[4-(benzylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 68946867
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
4-[[3-[4-[carboxy(methyl)amino]quinazolin-6-yl]phenyl]methylamino]-4-oxobutanoic acid
CID 68946679
1-[[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
CID 90976836
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-benzyl-N-[[3-[4-(propan-2-ylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68943878
6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline
CID 123686536
1-[[3-[4-[cyclopropyl(methyl)amino]quinazolin-6-yl]phenyl]methyl]pyrrole-2,5-diol
CID 90955696
N-cyclopropyl-N-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 57435010
N-cyclopropyl-N-[[3-[4-(2-phenylethylamino)quinazolin-6-yl]phenyl]methyl]thiophene-2-carboxamide
CID 68949355

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide (CID 68946581) is N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide is CCN(CC)c1ncnc2ccc(-c3cccc(CN(C)C(=O)c4ccccc4C(F)(F)F)c3)cc12.
What is the InChIKey of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is LUVUXSPHUGQSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O/c1-4-35(5-2)26-23-16-21(13-14-25(23)32-18-33-26)20-10-8-9-19(15-20)17-34(3)27(36)22-11-6-7-12-24(22)28(29,30)31/h6-16,18H,4-5,17H2,1-3H3.
What are the key properties of N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide?
N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 492.55 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 68946581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).