6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline

C19H17ClF4N2 — CID 141150777

IUPAC6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline
SMILESCCCC1(c2ccc(F)cc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H17ClF4N2/c1-2-9-18(13-3-6-15(21)7-4-13)16-10-14(20)5-8-17(16)25-12-26(18)11-19(22,23)24/h3-8,10,12H,2,9,11H2,1H3
InChIKeyKUTZKHPZIBAQRC-UHFFFAOYSA-N
MW384.80 g/mol
LogP6.06
Rot. Bonds4

About 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline

6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline (PubChem CID 141150777) has the molecular formula C19H17ClF4N2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline
PubChem CID141150777
Molecular FormulaC19H17ClF4N2
Molecular Weight384.80 g/mol
Exact Mass384.10
IUPAC Name6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline
SMILESCCCC1(c2ccc(F)cc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H17ClF4N2/c1-2-9-18(13-3-6-15(21)7-4-13)16-10-14(20)5-8-17(16)25-12-26(18)11-19(22,23)24/h3-8,10,12H,2,9,11H2,1H3
InChIKeyKUTZKHPZIBAQRC-UHFFFAOYSA-N
XLogP6.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.80
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline?
The IUPAC name of 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline (CID 141150777) is 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline.
What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline?
The canonical SMILES for 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline is CCCC1(c2ccc(F)cc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline?
The InChIKey is KUTZKHPZIBAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2/c1-2-9-18(13-3-6-15(21)7-4-13)16-10-14(20)5-8-17(16)25-12-26(18)11-19(22,23)24/h3-8,10,12H,2,9,11H2,1H3.
What are the key properties of 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline?
6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline has a molecular weight of 384.80 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluorophenyl)-4-propyl-3-(2,2,2-trifluoroethyl)quinazoline is sourced from PubChem (CID 141150777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).