6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one

C15H18ClFN2O — CID 11856980

IUPAC6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CCF
InChIInChI=1S/C15H18ClFN2O/c1-2-15(10-3-4-10)12-9-11(16)5-6-13(12)18-14(20)19(15)8-7-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyDPLFOPFBEUVABW-UHFFFAOYSA-N
MW296.77 g/mol
LogP4.17
Rot. Bonds4

About 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one

6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one (PubChem CID 11856980) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one
PubChem CID11856980
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CCF
InChIInChI=1S/C15H18ClFN2O/c1-2-15(10-3-4-10)12-9-11(16)5-6-13(12)18-14(20)19(15)8-7-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyDPLFOPFBEUVABW-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-6-chloro-4-cyclopropyl-3-(2,2-difluoroethyl)-1H-quinazolin-2-one
CID 59346603
6-chloro-4-ethyl-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
CID 11853810
6-chloro-4-cyclopropyl-3,4-dimethyl-1H-quinazolin-2-one;2H-oxete
CID 67873488
7-chloro-5-(cyclopropylmethoxy)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013696
6-chloro-4-(2-cyclopropylethynyl)-3-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1H-quinazolin-2-one
CID 11854333
4-(4-bromophenyl)-6-chloro-4-cyclopropyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
CID 11854070
7-chloro-5-(cyclopropylmethylsulfanyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one
CID 22013712
7-chloro-5-(2-cyclopropylethynyl)-3-propyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one
CID 18387398
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
6-chloro-4-(4-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one;ethane
CID 143744530
2'-butyl-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 90935335
6-chloro-4-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
CID 20671902

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one (CID 11856980) is 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one is CCC1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CCF.
What is the InChIKey of 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one?
The InChIKey is DPLFOPFBEUVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c1-2-15(10-3-4-10)12-9-11(16)5-6-13(12)18-14(20)19(15)8-7-17/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one?
6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one has a molecular weight of 296.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyclopropyl-4-ethyl-3-(2-fluoroethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 11856980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).