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

C26H24N6O3 — CID 162753730

IUPAC4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4cnc(=O)[nH]c4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C26H24N6O3/c1-15-7-20-21(31(3)25(15)33)9-18(35-4)10-22(20)32-6-5-30(2)23-11-19(16(12-27)8-24(23)32)17-13-28-26(34)29-14-17/h7-11,13-14H,5-6H2,1-4H3,(H,28,29,34)
InChIKeyTZZLZCMXHHQVMZ-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.07
Rot. Bonds3

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

4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 162753730) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
PubChem CID162753730
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
SMILESCOc1cc(N2CCN(C)c3cc(-c4cnc(=O)[nH]c4)c(C#N)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C26H24N6O3/c1-15-7-20-21(31(3)25(15)33)9-18(35-4)10-22(20)32-6-5-30(2)23-11-19(16(12-27)8-24(23)32)17-13-28-26(34)29-14-17/h7-11,13-14H,5-6H2,1-4H3,(H,28,29,34)
InChIKeyTZZLZCMXHHQVMZ-UHFFFAOYSA-N
XLogP3.07
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 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) is 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-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-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile is COc1cc(N2CCN(C)c3cc(-c4cnc(=O)[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-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is TZZLZCMXHHQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-15-7-20-21(31(3)25(15)33)9-18(35-4)10-22(20)32-6-5-30(2)23-11-19(16(12-27)8-24(23)32)17-13-28-26(34)29-14-17/h7-11,13-14H,5-6H2,1-4H3,(H,28,29,34).
What are the key properties of 4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile?
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 468.52 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 162753730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).