9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

C18H13NO5 — CID 25017511

IUPAC9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12
InChIInChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)
InChIKeySNCFYIQVKBGNRO-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.81
Rot. Bonds1

About 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione

9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (PubChem CID 25017511) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.

Molecular Properties

Compound Name9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
PubChem CID25017511
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCOc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12
InChIInChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)
InChIKeySNCFYIQVKBGNRO-UHFFFAOYSA-N
XLogP2.81
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione with MolForge

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Related Compounds

5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-ol
CID 10406413
(5Z)-10-methoxy-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 11224044
(5Z)-5-[(4-hydroxyphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11293264
[5-fluoro-2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]phenyl]-piperidin-1-ylmethanone
CID 11444087
9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25016977
(5Z)-10-methoxy-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 57666350
trifluoromethyl 10-methoxy-4-methyl-2,5-dioxo-1H-chromeno[3,4-f]quinoline-9-carboxylate
CID 44448685
(S)-10-Methoxy-2,2,4-trimethyl-5-((R)-3-methyl-cyclohex-2-enyl)-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-ol
CID 10341919
2-[(Z)-(9-hydroxy-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ylidene)methyl]-N,N,5-trimethylfuran-3-carboxamide
CID 11375176
9-Hydroxy-10-methoxy-4-methyl-1,5-dihydrochromeno[3,4-f]quinolin-2-one
CID 25017513
10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25017760
9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25017761

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The IUPAC name of 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (CID 25017511) is 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.
What is the SMILES notation for 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The canonical SMILES for 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12.
What is the InChIKey of 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The InChIKey is SNCFYIQVKBGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21).
What are the key properties of 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione has a molecular weight of 323.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is sourced from PubChem (CID 25017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).