9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide

C12H12N2O5 — CID 141068722

IUPAC9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(O)c2c1ccc1c2OCO1
InChIInChI=1S/C12H12N2O5/c1-14-5-2-3-6-10(19-4-18-6)7(5)9(15)8(11(13)16)12(14)17/h2-3,8-9,15H,4H2,1H3,(H2,13,16)
InChIKeyAGAOUPQCKTXFGP-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.47
Rot. Bonds1

About 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide

9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide (PubChem CID 141068722) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide.

Molecular Properties

Compound Name9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide
PubChem CID141068722
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide
SMILESCN1C(=O)C(C(N)=O)C(O)c2c1ccc1c2OCO1
InChIInChI=1S/C12H12N2O5/c1-14-5-2-3-6-10(19-4-18-6)7(5)9(15)8(11(13)16)12(14)17/h2-3,8-9,15H,4H2,1H3,(H2,13,16)
InChIKeyAGAOUPQCKTXFGP-UHFFFAOYSA-N
XLogP-0.47
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-hydroxy-1-methyl-2-oxo-3,4-dihydroquinoline-3-carboxamide
CID 67456630
(5R,8'R)-8'-hydroxy-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 10948569
(7,8'-dihydroxy-2-methyl-6'-oxospiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-yl) acetate
CID 23263966
8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 14218066
(1S,8'S)-8'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
CID 11731733
(1R,11R,12R,14S,24R)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.02,10.04,8.012,24.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-11-ol
CID 146167750
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-acetyl-2-hydroxy-4-methyl-1,4-benzoxazin-3-one
CID 11658613
5-bromo-4-(1,3-dioxolan-2-yl)-1,3-benzodioxole
CID 118640946
(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol
CID 155327377
methyl 2-hydroxy-2-(5-methyl-1,3-benzodioxol-4-yl)acetate
CID 117321446
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide?
The IUPAC name of 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide (CID 141068722) is 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide.
What is the SMILES notation for 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide?
The canonical SMILES for 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide is CN1C(=O)C(C(N)=O)C(O)c2c1ccc1c2OCO1.
What is the InChIKey of 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide?
The InChIKey is AGAOUPQCKTXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-14-5-2-3-6-10(19-4-18-6)7(5)9(15)8(11(13)16)12(14)17/h2-3,8-9,15H,4H2,1H3,(H2,13,16).
What are the key properties of 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide?
9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide has a molecular weight of 264.24 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-methyl-7-oxo-8,9-dihydro-[1,3]dioxolo[4,5-f]quinoline-8-carboxamide is sourced from PubChem (CID 141068722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).