4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile

C28H26N4O2 — CID 170288703

IUPAC4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4ccccc4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C28H26N4O2/c1-18-12-23-24(31(3)28(18)33)14-21(34-4)15-25(23)32-11-10-30(2)26-16-22(19-8-6-5-7-9-19)20(17-29)13-27(26)32/h5-9,12-16H,10-11H2,1-4H3
InChIKeyDCIYLNMIPMWBPN-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.98
Rot. Bonds3

About 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile

4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 170288703) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile
PubChem CID170288703
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4ccccc4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C28H26N4O2/c1-18-12-23-24(31(3)28(18)33)14-21(34-4)15-25(23)32-11-10-30(2)26-16-22(19-8-6-5-7-9-19)20(17-29)13-27(26)32/h5-9,12-16H,10-11H2,1-4H3
InChIKeyDCIYLNMIPMWBPN-UHFFFAOYSA-N
XLogP4.98
TPSA61.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 177223817
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753730
7-(1-iodo-3,6-dihydro-2H-pyridin-4-yl)-4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxaline-6-carbonitrile
CID 167009109
1-[7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-4-methyl-2,3-dihydroquinoxalin-6-yl]piperidine-4-carboxylic acid
CID 162753953
7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-N,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
CID 162753983
4-[1,3-dimethyl-7-[(1-methylpiperidin-3-yl)methoxy]-2-oxoquinolin-5-yl]-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 178139254
4-[1,3-dimethyl-2-oxo-7-(2-piperidin-4-ylethoxy)quinolin-5-yl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 176986611
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753645
7-(4-acetylpiperazin-1-yl)-1-ethyl-4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753985
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 176949277
N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
CID 162753865
7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one
CID 162753615

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile (CID 170288703) is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile is COc1cc(N2CCN(C)c3cc(-c4ccccc4)c(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)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is DCIYLNMIPMWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18-12-23-24(31(3)28(18)33)14-21(34-4)15-25(23)32-11-10-30(2)26-16-22(19-8-6-5-7-9-19)20(17-29)13-27(26)32/h5-9,12-16H,10-11H2,1-4H3.
What are the key properties of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile?
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 450.54 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 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)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 170288703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).