N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide

C22H20N2O4 — CID 166364671

IUPACN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)C(C)CC(=O)N3C)oc(=O)c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-12-10-19(25)24(3)18-9-8-14(11-17(12)18)23-21(26)20-13(2)15-6-4-5-7-16(15)22(27)28-20/h4-9,11-12H,10H2,1-3H3,(H,23,26)
InChIKeyLTMRGKTYJCLCOG-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.82
Rot. Bonds2

About N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide

N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide (PubChem CID 166364671) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide
PubChem CID166364671
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)C(C)CC(=O)N3C)oc(=O)c2ccccc12
InChIInChI=1S/C22H20N2O4/c1-12-10-19(25)24(3)18-9-8-14(11-17(12)18)23-21(26)20-13(2)15-6-4-5-7-16(15)22(27)28-20/h4-9,11-12H,10H2,1-3H3,(H,23,26)
InChIKeyLTMRGKTYJCLCOG-UHFFFAOYSA-N
XLogP3.82
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide 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 N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide (CID 166364671) is N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)C(C)CC(=O)N3C)oc(=O)c2ccccc12.
What is the InChIKey of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide?
The InChIKey is LTMRGKTYJCLCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-12-10-19(25)24(3)18-9-8-14(11-17(12)18)23-21(26)20-13(2)15-6-4-5-7-16(15)22(27)28-20/h4-9,11-12H,10H2,1-3H3,(H,23,26).
What are the key properties of N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide?
N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methyl-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 166364671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).