(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C20H18N2O4 — CID 125429718

IUPAC(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2c1
InChIInChI=1S/C20H18N2O4/c1-10-4-5-15-12(6-10)8-14(19(24)21-15)13-9-17(23)26-16-7-11(2)22(3)20(25)18(13)16/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyKKXKSCSBXICONJ-ZDUSSCGKSA-N
MW350.37 g/mol
LogP2.28
Rot. Bonds1

About (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125429718) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125429718
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2c1
InChIInChI=1S/C20H18N2O4/c1-10-4-5-15-12(6-10)8-14(19(24)21-15)13-9-17(23)26-16-7-11(2)22(3)20(25)18(13)16/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyKKXKSCSBXICONJ-ZDUSSCGKSA-N
XLogP2.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125429718) is (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2c1.
What is the InChIKey of (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is KKXKSCSBXICONJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-10-4-5-15-12(6-10)8-14(19(24)21-15)13-9-17(23)26-16-7-11(2)22(3)20(25)18(13)16/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 350.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125429718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).