4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile

C17H11F3N4 — CID 71538885

IUPAC4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-11(2-5-13)9-22-16-14-7-12(8-21)3-6-15(14)23-10-24-16/h1-7,10H,9H2,(H,22,23,24)
InChIKeyINBIYAJKMJIQNM-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.13
Rot. Bonds3

About 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile

4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile (PubChem CID 71538885) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
PubChem CID71538885
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-11(2-5-13)9-22-16-14-7-12(8-21)3-6-15(14)23-10-24-16/h1-7,10H,9H2,(H,22,23,24)
InChIKeyINBIYAJKMJIQNM-UHFFFAOYSA-N
XLogP4.13
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]amino]methyl]benzonitrile
CID 156755699
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
3-fluoro-4-[[(6-methylquinazolin-4-yl)amino]methyl]benzonitrile
CID 99814684
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)quinazolin-4-amine
CID 167923280
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
4-fluoro-3-[(quinazolin-4-ylamino)methyl]benzonitrile
CID 91643499
4-[[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 164617851
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile (CID 71538885) is 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile is N#Cc1ccc2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile?
The InChIKey is INBIYAJKMJIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-11(2-5-13)9-22-16-14-7-12(8-21)3-6-15(14)23-10-24-16/h1-7,10H,9H2,(H,22,23,24).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile?
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile has a molecular weight of 328.30 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile is sourced from PubChem (CID 71538885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).