7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one

C16H19ClN2O — CID 138709563

IUPAC7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1CCCCCC1CC1
InChIInChI=1S/C16H19ClN2O/c17-12-8-9-13-15(10-12)19-16(20)14(18-13)5-3-1-2-4-11-6-7-11/h8-11H,1-7H2,(H,19,20)
InChIKeyZMBTYWNOUWSJET-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.09
Rot. Bonds6

About 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one

7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one (PubChem CID 138709563) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
PubChem CID138709563
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1CCCCCC1CC1
InChIInChI=1S/C16H19ClN2O/c17-12-8-9-13-15(10-12)19-16(20)14(18-13)5-3-1-2-4-11-6-7-11/h8-11H,1-7H2,(H,19,20)
InChIKeyZMBTYWNOUWSJET-UHFFFAOYSA-N
XLogP4.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one (CID 138709563) is 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one is O=c1[nH]c2cc(Cl)ccc2nc1CCCCCC1CC1.
What is the InChIKey of 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one?
The InChIKey is ZMBTYWNOUWSJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-12-8-9-13-15(10-12)19-16(20)14(18-13)5-3-1-2-4-11-6-7-11/h8-11H,1-7H2,(H,19,20).
What are the key properties of 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one?
7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one has a molecular weight of 290.79 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-cyclopropylpentyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 138709563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).