3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one

C24H18N4O2 — CID 3697644

IUPAC3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc2c3nc4ccccc4nc3n(CCn3c(=O)oc4ccccc43)c12
InChIInChI=1S/C24H18N4O2/c1-15-7-6-8-16-21-23(26-18-10-3-2-9-17(18)25-21)28(22(15)16)14-13-27-19-11-4-5-12-20(19)30-24(27)29/h2-12H,13-14H2,1H3
InChIKeyWUXYKRLBOFKSPO-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.65
Rot. Bonds3

About 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 3697644) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID3697644
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cccc2c3nc4ccccc4nc3n(CCn3c(=O)oc4ccccc43)c12
InChIInChI=1S/C24H18N4O2/c1-15-7-6-8-16-21-23(26-18-10-3-2-9-17(18)25-21)28(22(15)16)14-13-27-19-11-4-5-12-20(19)30-24(27)29/h2-12H,13-14H2,1H3
InChIKeyWUXYKRLBOFKSPO-UHFFFAOYSA-N
XLogP4.65
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561409
7-methyl-6-propan-2-ylindolo[3,2-b]quinoxaline
CID 936999
3-methylbutyl 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)acetate
CID 2006980
7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 2001811
7-methyl-6-[(2-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 3700504
3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 33342432
3-[2-(3-aminopyrazol-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 63316065
3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile
CID 2799290
1-indolo[3,2-b]quinoxalin-6-yl-N,N-dimethylmethanamine
CID 5271720
3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 10109945
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one (CID 3697644) is 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one is Cc1cccc2c3nc4ccccc4nc3n(CCn3c(=O)oc4ccccc43)c12.
What is the InChIKey of 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is WUXYKRLBOFKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15-7-6-8-16-21-23(26-18-10-3-2-9-17(18)25-21)28(22(15)16)14-13-27-19-11-4-5-12-20(19)30-24(27)29/h2-12H,13-14H2,1H3.
What are the key properties of 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 394.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 3697644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).