2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline

C16H11F3N2 — CID 68735637

IUPAC2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
SMILESCc1nc(-c2ccccc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H11F3N2/c1-10-20-14(11-6-3-2-4-7-11)12-8-5-9-13(15(12)21-10)16(17,18)19/h2-9H,1H3
InChIKeyBMKQBYPWQHCHTF-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.62
Rot. Bonds1

About 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline

2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline (PubChem CID 68735637) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
PubChem CID68735637
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
SMILESCc1nc(-c2ccccc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H11F3N2/c1-10-20-14(11-6-3-2-4-7-11)12-8-5-9-13(15(12)21-10)16(17,18)19/h2-9H,1H3
InChIKeyBMKQBYPWQHCHTF-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262704
2-methyl-4,6-diphenylbenzo[h]quinazoline
CID 157187450
4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
CID 174590763
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
4-(3-bromophenyl)-2,8-bis(trifluoromethyl)quinazoline
CID 86646980
2-methyl-4,10-diphenylbenzo[g]quinazoline
CID 160887193
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline
CID 174605463
2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 141120001
2,4-dimethyl-8-(trifluoromethyl)quinoline;ethane
CID 142222859
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
CID 142519146
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline?
The IUPAC name of 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline (CID 68735637) is 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline is Cc1nc(-c2ccccc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline?
The InChIKey is BMKQBYPWQHCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c1-10-20-14(11-6-3-2-4-7-11)12-8-5-9-13(15(12)21-10)16(17,18)19/h2-9H,1H3.
What are the key properties of 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline?
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline has a molecular weight of 288.27 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 68735637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).