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

C20H17NO5 — CID 25017761

IUPAC9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1OC
InChIInChI=1S/C20H17NO5/c1-4-25-14-8-7-13-17(19(14)24-3)11-5-6-12-16(18(11)20(23)26-13)10(2)9-15(22)21-12/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeySFCIXTYEKOUYAT-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.50
Rot. Bonds3

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

9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (PubChem CID 25017761) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.

Molecular Properties

Compound Name9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
PubChem CID25017761
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
SMILESCCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1OC
InChIInChI=1S/C20H17NO5/c1-4-25-14-8-7-13-17(19(14)24-3)11-5-6-12-16(18(11)20(23)26-13)10(2)9-15(22)21-12/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeySFCIXTYEKOUYAT-UHFFFAOYSA-N
XLogP3.50
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25016977
9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25017511
trifluoromethyl 10-methoxy-4-methyl-2,5-dioxo-1H-chromeno[3,4-f]quinoline-9-carboxylate
CID 44448685
3,4,5-trimethoxy-N-[2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-6-yl]benzamide
CID 166626774
5-Allyl-9,10-dimethoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 9969849
5-Allyl-9-ethoxy-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10157287
5-Allyl-10-methoxy-2,2,4-trimethyl-9-prop-2-ynyloxy-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10272405
5-Allyl-9-allyloxy-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10272529
5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene-10-carboxylic acid methyl ester
CID 10926892
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-9-yloxy)-acetonitrile
CID 11003946
Methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
CID 22314910
9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
CID 25016975

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The IUPAC name of 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione (CID 25017761) is 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione.
What is the SMILES notation for 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The canonical SMILES for 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is CCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1OC.
What is the InChIKey of 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
The InChIKey is SFCIXTYEKOUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-4-25-14-8-7-13-17(19(14)24-3)11-5-6-12-16(18(11)20(23)26-13)10(2)9-15(22)21-12/h5-9H,4H2,1-3H3,(H,21,22).
What are the key properties of 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione?
9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione has a molecular weight of 351.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione is sourced from PubChem (CID 25017761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).