4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

C21H20N4O2 — CID 176949277

IUPAC4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCNc3ccc(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C21H20N4O2/c1-13-8-16-18(24(2)21(13)26)10-15(27-3)11-19(16)25-7-6-23-17-5-4-14(12-22)9-20(17)25/h4-5,8-11,23H,6-7H2,1-3H3
InChIKeyKOVAULCNUMLPAB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.29
Rot. Bonds2

About 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 176949277) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID176949277
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCNc3ccc(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C21H20N4O2/c1-13-8-16-18(24(2)21(13)26)10-15(27-3)11-19(16)25-7-6-23-17-5-4-14(12-22)9-20(17)25/h4-5,8-11,23H,6-7H2,1-3H3
InChIKeyKOVAULCNUMLPAB-UHFFFAOYSA-N
XLogP3.29
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (CID 176949277) is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is COc1cc(N2CCNc3ccc(C#N)cc32)c2cc(C)c(=O)n(C)c2c1.
What is the InChIKey of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is KOVAULCNUMLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-8-16-18(24(2)21(13)26)10-15(27-3)11-19(16)25-7-6-23-17-5-4-14(12-22)9-20(17)25/h4-5,8-11,23H,6-7H2,1-3H3.
What are the key properties of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 176949277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).