6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

C29H28N2O5 — CID 127045576

IUPAC6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12
InChIInChI=1S/C29H28N2O5/c1-30(2)14-5-15-36-19-8-6-18(7-9-19)31-27-23-13-11-20(34-3)16-24(23)28(32)26(27)22-12-10-21(35-4)17-25(22)29(31)33/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyAUZAPDKLWBEFHV-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.55
Rot. Bonds8

About 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 127045576) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID127045576
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC Name6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12
InChIInChI=1S/C29H28N2O5/c1-30(2)14-5-15-36-19-8-6-18(7-9-19)31-27-23-13-11-20(34-3)16-24(23)28(32)26(27)22-12-10-21(35-4)17-25(22)29(31)33/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyAUZAPDKLWBEFHV-UHFFFAOYSA-N
XLogP4.55
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 127045576) is 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12.
What is the InChIKey of 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is AUZAPDKLWBEFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-30(2)14-5-15-36-19-8-6-18(7-9-19)31-27-23-13-11-20(34-3)16-24(23)28(32)26(27)22-12-10-21(35-4)17-25(22)29(31)33/h6-13,16-17H,5,14-15H2,1-4H3.
What are the key properties of 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 484.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)propoxy]phenyl]-3,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 127045576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).