6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride

C24H23Cl2N3O — CID 45262948

IUPAC6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1Cl)c1ccccc12.Cl
InChIInChI=1S/C24H22ClN3O.ClH/c1-28(2)15-14-26-24(29)20-12-7-11-18-16-8-3-4-9-17(16)22(27-23(18)20)19-10-5-6-13-21(19)25;/h3-13H,14-15H2,1-2H3,(H,26,29);1H
InChIKeyOBBNASLJLUHVDT-UHFFFAOYSA-N
MW440.37 g/mol
LogP5.42
Rot. Bonds5

About 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride

6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride (PubChem CID 45262948) has the molecular formula C24H23Cl2N3O and a molecular weight of 440.37 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
PubChem CID45262948
Molecular FormulaC24H23Cl2N3O
Molecular Weight440.37 g/mol
Exact Mass439.12
IUPAC Name6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1Cl)c1ccccc12.Cl
InChIInChI=1S/C24H22ClN3O.ClH/c1-28(2)15-14-26-24(29)20-12-7-11-18-16-8-3-4-9-17(16)22(27-23(18)20)19-10-5-6-13-21(19)25;/h3-13H,14-15H2,1-2H3,(H,26,29);1H
InChIKeyOBBNASLJLUHVDT-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride?
The IUPAC name of 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride (CID 45262948) is 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride is CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1Cl)c1ccccc12.Cl.
What is the InChIKey of 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride?
The InChIKey is OBBNASLJLUHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O.ClH/c1-28(2)15-14-26-24(29)20-12-7-11-18-16-8-3-4-9-17(16)22(27-23(18)20)19-10-5-6-13-21(19)25;/h3-13H,14-15H2,1-2H3,(H,26,29);1H.
What are the key properties of 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride?
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride has a molecular weight of 440.37 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 45262948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).