6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one

C23H24N2O4 — CID 54673455

IUPAC6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(OCCCN(C)C)nc2ccc(OC)cc12
InChIInChI=1S/C23H24N2O4/c1-25(2)10-5-11-29-23-21-16-8-6-14(27-3)12-17(16)22(26)20(21)18-13-15(28-4)7-9-19(18)24-23/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyKVPWWJBFPAMLSZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds7

About 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one

6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one (PubChem CID 54673455) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one
PubChem CID54673455
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(OCCCN(C)C)nc2ccc(OC)cc12
InChIInChI=1S/C23H24N2O4/c1-25(2)10-5-11-29-23-21-16-8-6-14(27-3)12-17(16)22(26)20(21)18-13-15(28-4)7-9-19(18)24-23/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyKVPWWJBFPAMLSZ-UHFFFAOYSA-N
XLogP3.79
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one (CID 54673455) is 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one is COc1ccc2c(c1)C(=O)c1c-2c(OCCCN(C)C)nc2ccc(OC)cc12.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one?
The InChIKey is KVPWWJBFPAMLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-25(2)10-5-11-29-23-21-16-8-6-14(27-3)12-17(16)22(26)20(21)18-13-15(28-4)7-9-19(18)24-23/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one?
6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one has a molecular weight of 392.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 54673455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).