(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C22H22N2O4 — CID 97045799

IUPAC(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2
InChIInChI=1S/C22H22N2O4/c1-12(2)11-24-17-7-5-4-6-14(17)9-16(22(24)27)15-10-19(25)28-18-8-13(3)23-21(26)20(15)18/h4-9,12,15H,10-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyALNJRZPYJIAQBH-OAHLLOKOSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds3

About (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97045799) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97045799
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2
InChIInChI=1S/C22H22N2O4/c1-12(2)11-24-17-7-5-4-6-14(17)9-16(22(24)27)15-10-19(25)28-18-8-13(3)23-21(26)20(15)18/h4-9,12,15H,10-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyALNJRZPYJIAQBH-OAHLLOKOSA-N
XLogP3.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869
(4R)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 99999817
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75492565
(2Z,9S)-9-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125429463
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734
7-methyl-4-quinoxalin-5-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71701331
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71826674
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97264954
(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266190
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
4-(7-chloro-1,3-benzodioxol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703159

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97045799) is (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2.
What is the InChIKey of (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is ALNJRZPYJIAQBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-12(2)11-24-17-7-5-4-6-14(17)9-16(22(24)27)15-10-19(25)28-18-8-13(3)23-21(26)20(15)18/h4-9,12,15H,10-11H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 378.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methyl-4-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).