6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline

C19H18ClF3N2 — CID 141150767

IUPAC6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline
SMILESCCC1(c2cccc(C)c2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H18ClF3N2/c1-3-18(14-6-4-5-13(2)9-14)16-10-15(20)7-8-17(16)24-12-25(18)11-19(21,22)23/h4-10,12H,3,11H2,1-2H3
InChIKeyAWAVWWCWVLKSDP-UHFFFAOYSA-N
MW366.81 g/mol
LogP5.84
Rot. Bonds3

About 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline

6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline (PubChem CID 141150767) has the molecular formula C19H18ClF3N2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline
PubChem CID141150767
Molecular FormulaC19H18ClF3N2
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC Name6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline
SMILESCCC1(c2cccc(C)c2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H18ClF3N2/c1-3-18(14-6-4-5-13(2)9-14)16-10-15(20)7-8-17(16)24-12-25(18)11-19(21,22)23/h4-10,12H,3,11H2,1-2H3
InChIKeyAWAVWWCWVLKSDP-UHFFFAOYSA-N
XLogP5.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.81
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline?
The IUPAC name of 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline (CID 141150767) is 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline.
What is the SMILES notation for 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline?
The canonical SMILES for 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline is CCC1(c2cccc(C)c2)c2cc(Cl)ccc2N=CN1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline?
The InChIKey is AWAVWWCWVLKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2/c1-3-18(14-6-4-5-13(2)9-14)16-10-15(20)7-8-17(16)24-12-25(18)11-19(21,22)23/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline?
6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline has a molecular weight of 366.81 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-4-(3-methylphenyl)-3-(2,2,2-trifluoroethyl)quinazoline is sourced from PubChem (CID 141150767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).