4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one

C20H19F3N2O — CID 59346595

IUPAC4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one
SMILESO=C1Nc2ccc(F)cc2C(CC2CC2)(c2ccccc2)N1CC(F)F
InChIInChI=1S/C20H19F3N2O/c21-15-8-9-17-16(10-15)20(11-13-6-7-13,14-4-2-1-3-5-14)25(12-18(22)23)19(26)24-17/h1-5,8-10,13,18H,6-7,11-12H2,(H,24,26)
InChIKeyLQMULBBKGJLUIQ-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.98
Rot. Bonds5

About 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one

4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one (PubChem CID 59346595) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one
PubChem CID59346595
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one
SMILESO=C1Nc2ccc(F)cc2C(CC2CC2)(c2ccccc2)N1CC(F)F
InChIInChI=1S/C20H19F3N2O/c21-15-8-9-17-16(10-15)20(11-13-6-7-13,14-4-2-1-3-5-14)25(12-18(22)23)19(26)24-17/h1-5,8-10,13,18H,6-7,11-12H2,(H,24,26)
InChIKeyLQMULBBKGJLUIQ-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-4-prop-2-enyl-1H-quinazolin-2-one
CID 11855365
3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-4-prop-1-en-2-yl-1H-quinazolin-2-one
CID 59346591
(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 68852249
6-chloro-4-ethyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
CID 11853810
4-butyl-6-chloro-4-cyclopropyl-3-(2,2-difluoroethyl)-1H-quinazolin-2-one
CID 59346603
3-(2,2-difluoroethyl)-4-(2-ethylbutyl)-6-fluoro-4-phenylquinazoline
CID 141150782
4-(4-fluorophenyl)-6-methyl-4-prop-2-enyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
CID 162585614
6-fluoro-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 76519045
(3R,3'aR,8'aS,8'bS)-5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 92507927
5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 4885931
1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880613
6-chloro-4-(4-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one;ethane
CID 143744530

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one (CID 59346595) is 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one is O=C1Nc2ccc(F)cc2C(CC2CC2)(c2ccccc2)N1CC(F)F.
What is the InChIKey of 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one?
The InChIKey is LQMULBBKGJLUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-15-8-9-17-16(10-15)20(11-13-6-7-13,14-4-2-1-3-5-14)25(12-18(22)23)19(26)24-17/h1-5,8-10,13,18H,6-7,11-12H2,(H,24,26).
What are the key properties of 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one?
4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one has a molecular weight of 360.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-(2,2-difluoroethyl)-6-fluoro-4-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 59346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).