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

C23H18N2O4 — CID 125431387

IUPAC(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1cc3cc4ccccc4cc3[nH]c1=O)CC(=O)O2
InChIInChI=1S/C23H18N2O4/c1-12-7-19-21(23(28)25(12)2)16(11-20(26)29-19)17-9-15-8-13-5-3-4-6-14(13)10-18(15)24-22(17)27/h3-10,16H,11H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyNSLWZKYJQFXICV-INIZCTEOSA-N
MW386.41 g/mol
LogP3.13
Rot. Bonds1

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

(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125431387) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125431387
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1cc3cc4ccccc4cc3[nH]c1=O)CC(=O)O2
InChIInChI=1S/C23H18N2O4/c1-12-7-19-21(23(28)25(12)2)16(11-20(26)29-19)17-9-15-8-13-5-3-4-6-14(13)10-18(15)24-22(17)27/h3-10,16H,11H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyNSLWZKYJQFXICV-INIZCTEOSA-N
XLogP3.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125431387) is (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1C)[C@H](c1cc3cc4ccccc4cc3[nH]c1=O)CC(=O)O2.
What is the InChIKey of (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NSLWZKYJQFXICV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-12-7-19-21(23(28)25(12)2)16(11-20(26)29-19)17-9-15-8-13-5-3-4-6-14(13)10-18(15)24-22(17)27/h3-10,16H,11H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-6,7-dimethyl-4-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 386.41 g/mol, XLogP of 3.13, 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-(2-oxo-1H-benzo[g]quinolin-3-yl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).