6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

C14H17ClN2O — CID 155027483

IUPAC6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)CNc2cc(Cl)c(C3CC3)cc21
InChIInChI=1S/C14H17ClN2O/c1-8(2)17-13-5-10(9-3-4-9)11(15)6-12(13)16-7-14(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyJAUGTDDVXXYXDP-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.38
Rot. Bonds2

About 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 155027483) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID155027483
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)CNc2cc(Cl)c(C3CC3)cc21
InChIInChI=1S/C14H17ClN2O/c1-8(2)17-13-5-10(9-3-4-9)11(15)6-12(13)16-7-14(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyJAUGTDDVXXYXDP-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 155027483) is 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is CC(C)N1C(=O)CNc2cc(Cl)c(C3CC3)cc21.
What is the InChIKey of 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is JAUGTDDVXXYXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-8(2)17-13-5-10(9-3-4-9)11(15)6-12(13)16-7-14(17)18/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 155027483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).