4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide

C17H13F3N4O — CID 66762390

IUPAC4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ncnc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24)
InChIKeyWMHVRDMXMXGXEQ-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.36
Rot. Bonds4

About 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66762390) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66762390
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ncnc12
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24)
InChIKeyWMHVRDMXMXGXEQ-UHFFFAOYSA-N
XLogP3.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89044301
CID 89044301
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
CID 123614057
4-[[3-(2-methoxyethoxy)phenyl]methylamino]quinazoline-8-carboxamide
CID 66763206
4-[[3-[2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 147809448
4-[[3-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762042
4-[[3-[2-(2-amino-1,3-thiazol-4-yl)-2-oxoethyl]phenyl]methylamino]quinazoline-8-carboxamide
CID 158687312
4-[[3-[(7-methylisoquinolin-1-yl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762648
4-[[3-[[2-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763633
7-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 142682778
6-chloro-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 62663421
3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carbothioamide
CID 62684775

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide (CID 66762390) is 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ncnc12.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is WMHVRDMXMXGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)11-4-1-3-10(7-11)8-22-16-13-6-2-5-12(15(21)25)14(13)23-9-24-16/h1-7,9H,8H2,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66762390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).