5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one

C23H25N3O3 — CID 44556934

IUPAC5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
SMILESCOc1cc2c(=O)n(CCCN(C)C)c3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C23H25N3O3/c1-25(2)10-5-11-26-22-16-8-9-24-14-15(16)6-7-17(22)18-12-20(28-3)21(29-4)13-19(18)23(26)27/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyKVBXTESBYHSATP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.67
Rot. Bonds6

About 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one

5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one (PubChem CID 44556934) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
PubChem CID44556934
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one
SMILESCOc1cc2c(=O)n(CCCN(C)C)c3c4ccncc4ccc3c2cc1OC
InChIInChI=1S/C23H25N3O3/c1-25(2)10-5-11-26-22-16-8-9-24-14-15(16)6-7-17(22)18-12-20(28-3)21(29-4)13-19(18)23(26)27/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyKVBXTESBYHSATP-UHFFFAOYSA-N
XLogP3.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The IUPAC name of 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one (CID 44556934) is 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one is COc1cc2c(=O)n(CCCN(C)C)c3c4ccncc4ccc3c2cc1OC.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
The InChIKey is KVBXTESBYHSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(2)10-5-11-26-22-16-8-9-24-14-15(16)6-7-17(22)18-12-20(28-3)21(29-4)13-19(18)23(26)27/h6-9,12-14H,5,10-11H2,1-4H3.
What are the key properties of 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one?
5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one has a molecular weight of 391.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-8,9-dimethoxybenzo[c][1,8]phenanthrolin-6-one is sourced from PubChem (CID 44556934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).