2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione

C18H13NO3 — CID 12511621

IUPAC2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
SMILESCc1ccc2c(c1)c1oc3ccccc3c(=O)c1c(=O)n2C
InChIInChI=1S/C18H13NO3/c1-10-7-8-13-12(9-10)17-15(18(21)19(13)2)16(20)11-5-3-4-6-14(11)22-17/h3-9H,1-2H3
InChIKeyHKWRNRJAKCGRRV-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.11
Rot. Bonds

About 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione

2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione (PubChem CID 12511621) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione.

Molecular Properties

Compound Name2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
PubChem CID12511621
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione
SMILESCc1ccc2c(c1)c1oc3ccccc3c(=O)c1c(=O)n2C
InChIInChI=1S/C18H13NO3/c1-10-7-8-13-12(9-10)17-15(18(21)19(13)2)16(20)11-5-3-4-6-14(11)22-17/h3-9H,1-2H3
InChIKeyHKWRNRJAKCGRRV-UHFFFAOYSA-N
XLogP3.11
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione?
The IUPAC name of 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione (CID 12511621) is 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione.
What is the SMILES notation for 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione?
The canonical SMILES for 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione is Cc1ccc2c(c1)c1oc3ccccc3c(=O)c1c(=O)n2C.
What is the InChIKey of 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione?
The InChIKey is HKWRNRJAKCGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-10-7-8-13-12(9-10)17-15(18(21)19(13)2)16(20)11-5-3-4-6-14(11)22-17/h3-9H,1-2H3.
What are the key properties of 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione?
2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione has a molecular weight of 291.31 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylchromeno[3,2-c]quinoline-6,7-dione is sourced from PubChem (CID 12511621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).