6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one

C14H17ClN4O — CID 24853666

IUPAC6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C14H17ClN4O/c1-18-5-2-6-19(8-7-18)13-14(20)17-11-4-3-10(15)9-12(11)16-13/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyMPEWMXKLVHRQBL-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.72
Rot. Bonds1

About 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one

6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one (PubChem CID 24853666) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one
PubChem CID24853666
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C14H17ClN4O/c1-18-5-2-6-19(8-7-18)13-14(20)17-11-4-3-10(15)9-12(11)16-13/h3-4,9H,2,5-8H2,1H3,(H,17,20)
InChIKeyMPEWMXKLVHRQBL-UHFFFAOYSA-N
XLogP1.72
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one (CID 24853666) is 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one is CN1CCCN(c2nc3cc(Cl)ccc3[nH]c2=O)CC1.
What is the InChIKey of 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one?
The InChIKey is MPEWMXKLVHRQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18-5-2-6-19(8-7-18)13-14(20)17-11-4-3-10(15)9-12(11)16-13/h3-4,9H,2,5-8H2,1H3,(H,17,20).
What are the key properties of 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one?
6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one has a molecular weight of 292.77 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 24853666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).