5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one

C17H13NO2 — CID 11482438

IUPAC5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one
SMILESCN1Cc2ccccc2-c2c1c1ccccc1oc2=O
InChIInChI=1S/C17H13NO2/c1-18-10-11-6-2-3-7-12(11)15-16(18)13-8-4-5-9-14(13)20-17(15)19/h2-9H,10H2,1H3
InChIKeyWFRFPTOXGRDRIS-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.41
Rot. Bonds

About 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one

5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one (PubChem CID 11482438) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one.

Molecular Properties

Compound Name5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one
PubChem CID11482438
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one
SMILESCN1Cc2ccccc2-c2c1c1ccccc1oc2=O
InChIInChI=1S/C17H13NO2/c1-18-10-11-6-2-3-7-12(11)15-16(18)13-8-4-5-9-14(13)20-17(15)19/h2-9H,10H2,1H3
InChIKeyWFRFPTOXGRDRIS-UHFFFAOYSA-N
XLogP3.41
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
CID 24756332
CID 167712207
CID 167712207
3-(2-isothiocyanatophenyl)-4-methylchromen-2-one
CID 141092484
5,5-dihydroxychromeno[4,3-c]chromen-11-one
CID 141072451
1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560960
3-(2-chlorophenyl)-4-sulfanylchromen-2-one
CID 139244784
3,4-diethylchromen-2-one
CID 11680028
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
propane;xanthen-9-one
CID 90876458
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-amino-3-phenylchromen-2-one
CID 617040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one?
The IUPAC name of 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one (CID 11482438) is 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one.
What is the SMILES notation for 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one?
The canonical SMILES for 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one is CN1Cc2ccccc2-c2c1c1ccccc1oc2=O.
What is the InChIKey of 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one?
The InChIKey is WFRFPTOXGRDRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-18-10-11-6-2-3-7-12(11)15-16(18)13-8-4-5-9-14(13)20-17(15)19/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one?
5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one has a molecular weight of 263.30 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one is sourced from PubChem (CID 11482438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).