11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine

C25H20N2O2 — CID 11248644

IUPAC11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1ccc(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC
InChIInChI=1S/C25H20N2O2/c1-28-21-12-11-16(14-22(21)29-2)20-13-15-7-3-4-8-17(15)24-23(20)18-9-5-6-10-19(18)25(26)27-24/h3-14H,1-2H3,(H2,26,27)
InChIKeyFKYWRZHGYCMPFM-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.81
Rot. Bonds3

About 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine

11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine (PubChem CID 11248644) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine
PubChem CID11248644
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1ccc(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC
InChIInChI=1S/C25H20N2O2/c1-28-21-12-11-16(14-22(21)29-2)20-13-15-7-3-4-8-17(15)24-23(20)18-9-5-6-10-19(18)25(26)27-24/h3-14H,1-2H3,(H2,26,27)
InChIKeyFKYWRZHGYCMPFM-UHFFFAOYSA-N
XLogP5.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3,4-Dimethoxyphenyl)-6-Methylquinazoline-2,4-Diamine
CID 53346506
3-(3,4-Dimethoxy-2-methylphenyl)-6,7-dimethoxy-1-isoquinolinylamine
CID 1006316
11-(3,4,5-Trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 9801662
11-(2,4-Dimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 9913068
3-(4-Methoxy-2-methylphenyl)-6-methylisoquinolin-1-amine
CID 24951690
3-(1,3-Benzodioxol-5-yl)-6-methylisoquinolin-1-amine
CID 24951693
3-(3,4-Dimethoxyphenyl)-6-methylisoquinolin-1-amine
CID 24951694
3-(3-Methoxyphenyl)-6-methylisoquinolin-1-amine
CID 24952051
3-(3-Methoxyphenyl)-7-methylisoquinolin-1-amine
CID 24957047
6,7-Dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
CID 46931244
6,7-Dimethoxy-3-phenylisoquinolin-1-amine
CID 49844147
6,7-Dimethoxy-3-(2-methylphenyl)isoquinolin-1-amine
CID 49844152

Frequently Asked Questions

What is the IUPAC name of 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The IUPAC name of 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine (CID 11248644) is 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine.
What is the SMILES notation for 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The canonical SMILES for 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine is COc1ccc(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc1OC.
What is the InChIKey of 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The InChIKey is FKYWRZHGYCMPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-28-21-12-11-16(14-22(21)29-2)20-13-15-7-3-4-8-17(15)24-23(20)18-9-5-6-10-19(18)25(26)27-24/h3-14H,1-2H3,(H2,26,27).
What are the key properties of 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine?
11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine has a molecular weight of 380.45 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4-dimethoxyphenyl)benzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11248644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).