(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

C24H22N2O5 — CID 7328232

IUPAC(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cc(OC)c2c([C@@H]3CC(=O)Oc4c3c(=O)n(C)c3ccccc43)cn(C)c2c1
InChIInChI=1S/C24H22N2O5/c1-25-12-16(21-18(25)9-13(29-3)10-19(21)30-4)15-11-20(27)31-23-14-7-5-6-8-17(14)26(2)24(28)22(15)23/h5-10,12,15H,11H2,1-4H3/t15-/m0/s1
InChIKeyYLLPLEQEVTZWCB-HNNXBMFYSA-N
MW418.45 g/mol
LogP3.49
Rot. Bonds3

About (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione

(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (PubChem CID 7328232) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
PubChem CID7328232
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1cc(OC)c2c([C@@H]3CC(=O)Oc4c3c(=O)n(C)c3ccccc43)cn(C)c2c1
InChIInChI=1S/C24H22N2O5/c1-25-12-16(21-18(25)9-13(29-3)10-19(21)30-4)15-11-20(27)31-23-14-7-5-6-8-17(14)26(2)24(28)22(15)23/h5-10,12,15H,11H2,1-4H3/t15-/m0/s1
InChIKeyYLLPLEQEVTZWCB-HNNXBMFYSA-N
XLogP3.49
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione (CID 7328232) is (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is COc1cc(OC)c2c([C@@H]3CC(=O)Oc4c3c(=O)n(C)c3ccccc43)cn(C)c2c1.
What is the InChIKey of (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is YLLPLEQEVTZWCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-25-12-16(21-18(25)9-13(29-3)10-19(21)30-4)15-11-20(27)31-23-14-7-5-6-8-17(14)26(2)24(28)22(15)23/h5-10,12,15H,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione?
(4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 418.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4,6-dimethoxy-1-methylindol-3-yl)-6-methyl-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 7328232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).