1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one

C19H16N2O3 — CID 68586093

IUPAC1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
SMILESCOc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1
InChIInChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3
InChIKeyRGKDVKBFHJDPGG-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one

1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one (PubChem CID 68586093) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
PubChem CID68586093
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
SMILESCOc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1
InChIInChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3
InChIKeyRGKDVKBFHJDPGG-UHFFFAOYSA-N
XLogP3.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The IUPAC name of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one (CID 68586093) is 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one.
What is the SMILES notation for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The canonical SMILES for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one is COc1cc(OC)c2c(=O)c3cc4ccccc4nc3n(C)c2c1.
What is the InChIKey of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
The InChIKey is RGKDVKBFHJDPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21-15-9-12(23-2)10-16(24-3)17(15)18(22)13-8-11-6-4-5-7-14(11)20-19(13)21/h4-10H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one?
1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one has a molecular weight of 320.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one is sourced from PubChem (CID 68586093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).