1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid

C22H20N4O3 — CID 70113697

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc(C(=O)O)c2ccc3nc4ccccc4nc3c12
InChIInChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)15-8-7-14(22(28)29)13-9-10-18-20(19(13)15)25-17-6-4-3-5-16(17)24-18/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyLKYOINPCXVRPNS-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid (PubChem CID 70113697) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
PubChem CID70113697
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc(C(=O)O)c2ccc3nc4ccccc4nc3c12
InChIInChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)15-8-7-14(22(28)29)13-9-10-18-20(19(13)15)25-17-6-4-3-5-16(17)24-18/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29)
InChIKeyLKYOINPCXVRPNS-UHFFFAOYSA-N
XLogP2.93
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
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]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid (CID 70113697) is 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid is CN(C)CCNC(=O)c1ccc(C(=O)O)c2ccc3nc4ccccc4nc3c12.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
The InChIKey is LKYOINPCXVRPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26(2)12-11-23-21(27)15-8-7-14(22(28)29)13-9-10-18-20(19(13)15)25-17-6-4-3-5-16(17)24-18/h3-10H,11-12H2,1-2H3,(H,23,27)(H,28,29).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid has a molecular weight of 388.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid is sourced from PubChem (CID 70113697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).