3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide

C17H17ClN4O — CID 11580719

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12
InChIInChI=1S/C17H17ClN4O/c1-22(2)8-7-19-17(23)12-9-11(18)10-15-16(12)21-14-6-4-3-5-13(14)20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyHQVCYEVLCMIFBP-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.73
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide

3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide (PubChem CID 11580719) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
PubChem CID11580719
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12
InChIInChI=1S/C17H17ClN4O/c1-22(2)8-7-19-17(23)12-9-11(18)10-15-16(12)21-14-6-4-3-5-13(14)20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyHQVCYEVLCMIFBP-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
CID 70113697
N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
CID 23299931
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096412
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide (CID 11580719) is 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide is CN(C)CCNC(=O)c1cc(Cl)cc2nc3ccccc3nc12.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide?
The InChIKey is HQVCYEVLCMIFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-22(2)8-7-19-17(23)12-9-11(18)10-15-16(12)21-14-6-4-3-5-13(14)20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide?
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide is sourced from PubChem (CID 11580719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).