6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

C18H16ClF3N2O — CID 11559708

IUPAC6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H16ClF3N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyMVPWGNHSAOBKOI-UHFFFAOYSA-N
MW368.79 g/mol
LogP5.40
Rot. Bonds3

About 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (PubChem CID 11559708) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
PubChem CID11559708
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H16ClF3N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyMVPWGNHSAOBKOI-UHFFFAOYSA-N
XLogP5.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.79
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 455475
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CID 477003
CID 477003
CID 477004
CID 477004
CID 477005
CID 477005
CID 477006
CID 477006
CID 478287
CID 478287
CID 44399582
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CID 846926
CID 846926

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (CID 11559708) is 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is CCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The InChIKey is MVPWGNHSAOBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25).
What are the key properties of 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one has a molecular weight of 368.79 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 11559708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).