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

C20H18N2O5 — CID 125430529

IUPAC(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(=O)[nH]c2c1
InChIInChI=1S/C20H18N2O5/c1-10-6-16-18(20(25)22(10)2)13(9-17(23)27-16)14-7-11-4-5-12(26-3)8-15(11)21-19(14)24/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyOZOHBKJFKISAMU-ZDUSSCGKSA-N
MW366.37 g/mol
LogP1.98
Rot. Bonds2

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

(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125430529) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125430529
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(=O)[nH]c2c1
InChIInChI=1S/C20H18N2O5/c1-10-6-16-18(20(25)22(10)2)13(9-17(23)27-16)14-7-11-4-5-12(26-3)8-15(11)21-19(14)24/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyOZOHBKJFKISAMU-ZDUSSCGKSA-N
XLogP1.98
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125430529) is (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is COc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)c(=O)[nH]c2c1.
What is the InChIKey of (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is OZOHBKJFKISAMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-10-6-16-18(20(25)22(10)2)13(9-17(23)27-16)14-7-11-4-5-12(26-3)8-15(11)21-19(14)24/h4-8,13H,9H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 366.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125430529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).