9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide

C22H21ClN4O2 — CID 10112144

IUPAC9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H21ClN4O2/c1-27(2)10-9-24-22(28)16-11-13(23)12-18-21(16)26-20-15-5-4-6-19(29-3)14(15)7-8-17(20)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,24,28)
InChIKeyVGYRBEGABNYLTQ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.89
Rot. Bonds5

About 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide

9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10112144) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10112144
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H21ClN4O2/c1-27(2)10-9-24-22(28)16-11-13(23)12-18-21(16)26-20-15-5-4-6-19(29-3)14(15)7-8-17(20)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,24,28)
InChIKeyVGYRBEGABNYLTQ-UHFFFAOYSA-N
XLogP3.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948
methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
CID 11121568
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]-5-methoxyacridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 90811123
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
CID 70113697

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10112144) is 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is VGYRBEGABNYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-27(2)10-9-24-22(28)16-11-13(23)12-18-21(16)26-20-15-5-4-6-19(29-3)14(15)7-8-17(20)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,24,28).
What are the key properties of 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10112144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).