6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol

C21H21N3O — CID 15658191

IUPAC6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol
SMILESCN(C)CCNc1nc2c3cc(O)ccc3ccc2c2ccccc12
InChIInChI=1S/C21H21N3O/c1-24(2)12-11-22-21-18-6-4-3-5-16(18)17-10-8-14-7-9-15(25)13-19(14)20(17)23-21/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
InChIKeySRFNXHDTEHLVJM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.22
Rot. Bonds4

About 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol

6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol (PubChem CID 15658191) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol
PubChem CID15658191
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol
SMILESCN(C)CCNc1nc2c3cc(O)ccc3ccc2c2ccccc12
InChIInChI=1S/C21H21N3O/c1-24(2)12-11-22-21-18-6-4-3-5-16(18)17-10-8-14-7-9-15(25)13-19(14)20(17)23-21/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
InChIKeySRFNXHDTEHLVJM-UHFFFAOYSA-N
XLogP4.22
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-7-[(2-methylphenyl)[(6-methylpyridin-2-YL)amino]methyl]quinolin-8-OL
CID 2940834
1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
2-(Benzylamino)-4-methylquinolin-7-ol
CID 135857476
6-(4-Ethyl-piperazin-1-yl)-8-methoxy-benzo[k]phenanthridine
CID 9999312
8-Methoxy-6-piperazin-1-yl-benzo[k]phenanthridine
CID 10066043
8-Methoxy-6-(4-methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10428426
N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 15658179
4-Methyl-2-(2-phenylethylamino)quinolin-7-ol;hydrochloride
CID 135971356
11H-Benzo[g]pyrido[4, 7-[[3-diethylamino) propyl]amino]-10,11-dimethyl-
CID 374898
N-(3-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 15658180
N-(2-methoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 15658181
N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 15658185

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol (CID 15658191) is 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol is CN(C)CCNc1nc2c3cc(O)ccc3ccc2c2ccccc12.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol?
The InChIKey is SRFNXHDTEHLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(2)12-11-22-21-18-6-4-3-5-16(18)17-10-8-14-7-9-15(25)13-19(14)20(17)23-21/h3-10,13,25H,11-12H2,1-2H3,(H,22,23).
What are the key properties of 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol?
6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]benzo[c]phenanthridin-3-ol is sourced from PubChem (CID 15658191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).