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

C25H24N6O2 — CID 177223817

IUPAC4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4cn[nH]c4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C25H24N6O2/c1-15-7-20-21(30(3)25(15)32)9-18(33-4)10-22(20)31-6-5-29(2)23-11-19(17-13-27-28-14-17)16(12-26)8-24(23)31/h7-11,13-14H,5-6H2,1-4H3,(H,27,28)
InChIKeyZDMVLKGGHHPIOD-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.71
Rot. Bonds3

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

4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 177223817) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
PubChem CID177223817
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4cn[nH]c4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C25H24N6O2/c1-15-7-20-21(30(3)25(15)32)9-18(33-4)10-22(20)31-6-5-29(2)23-11-19(17-13-27-28-14-17)16(12-26)8-24(23)31/h7-11,13-14H,5-6H2,1-4H3,(H,27,28)
InChIKeyZDMVLKGGHHPIOD-UHFFFAOYSA-N
XLogP3.71
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile (CID 177223817) is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is COc1cc(N2CCN(C)c3cc(-c4cn[nH]c4)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-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is ZDMVLKGGHHPIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-15-7-20-21(30(3)25(15)32)9-18(33-4)10-22(20)31-6-5-29(2)23-11-19(17-13-27-28-14-17)16(12-26)8-24(23)31/h7-11,13-14H,5-6H2,1-4H3,(H,27,28).
What are the key properties of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 440.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 177223817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).