ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione

C21H22N2O4 — CID 143289518

IUPACethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione
SMILESCC.Cc1cc2ccccc2nc1-c1cc2c(c(=O)[nH]1)COC(=O)C2(C)O
InChIInChI=1S/C19H16N2O4.C2H6/c1-10-7-11-5-3-4-6-14(11)20-16(10)15-8-13-12(17(22)21-15)9-25-18(23)19(13,2)24;1-2/h3-8,24H,9H2,1-2H3,(H,21,22);1-2H3
InChIKeyYGJDKIMXMFZCSE-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.19
Rot. Bonds1

About ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione

ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione (PubChem CID 143289518) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione.

Molecular Properties

Compound Nameethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione
PubChem CID143289518
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione
SMILESCC.Cc1cc2ccccc2nc1-c1cc2c(c(=O)[nH]1)COC(=O)C2(C)O
InChIInChI=1S/C19H16N2O4.C2H6/c1-10-7-11-5-3-4-6-14(11)20-16(10)15-8-13-12(17(22)21-15)9-25-18(23)19(13,2)24;1-2/h3-8,24H,9H2,1-2H3,(H,21,22);1-2H3
InChIKeyYGJDKIMXMFZCSE-UHFFFAOYSA-N
XLogP3.19
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione with MolForge

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Related Compounds

15-ethyl-15-hydroxy-17-oxa-3,21-diazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19)-heptaene-16,20-dione
CID 10593822
(12S,19S)-19-ethyl-12,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 162984739
ethane;19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;sulfanol
CID 143616490
(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 59072389
ethane;(19S)-19-methoxy-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 168986578
actinium;(19S)-7,19-dihydroxy-19-methyl-10-tritio-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
CID 59072388
15-ethyl-15-hydroxy-21-methyl-17-oxa-3,21-diazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19)-heptaene-16,20-dione
CID 10690008
(10S)-22-amino-10-hydroxy-10-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione;ethane
CID 91563080
methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate
CID 22970010
19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;2H-tetrazole
CID 174529130
N-[2-[(19S)-19-hydroxy-19-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]ethyl]-N-propan-2-ylacetamide
CID 139295241
(4S)-4-ethyl-4-hydroxy-7-[(2-methylquinolin-3-yl)methyl]-1H-pyrano[3,4-c]pyridine-3,8-dione
CID 54344840

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione?
The IUPAC name of ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione (CID 143289518) is ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione.
What is the SMILES notation for ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione?
The canonical SMILES for ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione is CC.Cc1cc2ccccc2nc1-c1cc2c(c(=O)[nH]1)COC(=O)C2(C)O.
What is the InChIKey of ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione?
The InChIKey is YGJDKIMXMFZCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4.C2H6/c1-10-7-11-5-3-4-6-14(11)20-16(10)15-8-13-12(17(22)21-15)9-25-18(23)19(13,2)24;1-2/h3-8,24H,9H2,1-2H3,(H,21,22);1-2H3.
What are the key properties of ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione?
ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione has a molecular weight of 366.42 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-4-methyl-6-(3-methylquinolin-2-yl)-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione is sourced from PubChem (CID 143289518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).