6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C16H11ClF3N3 — CID 70854816

IUPAC6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-6-14-13(7-12)15(23-9-22-14)21-8-10-1-3-11(4-2-10)16(18,19)20/h1-7,9H,8H2,(H,21,22,23)
InChIKeyZKTHNUNMMKFQNP-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 70854816) has the molecular formula C16H11ClF3N3 and a molecular weight of 337.73 g/mol. Its IUPAC name is 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID70854816
Molecular FormulaC16H11ClF3N3
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC Name6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(CNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-6-14-13(7-12)15(23-9-22-14)21-8-10-1-3-11(4-2-10)16(18,19)20/h1-7,9H,8H2,(H,21,22,23)
InChIKeyZKTHNUNMMKFQNP-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
CID 19751395
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
4-[[[4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]amino]methyl]benzonitrile
CID 156755699
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
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 70854816) is 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is FC(F)(F)c1ccc(CNc2ncnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is ZKTHNUNMMKFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3/c17-12-5-6-14-13(7-12)15(23-9-22-14)21-8-10-1-3-11(4-2-10)16(18,19)20/h1-7,9H,8H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 337.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 70854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).