N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide

C31H30N4O4 — CID 10414406

IUPACN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide
SMILESCOc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4nc5ccccc5nc34)cc2)cc1OC
InChIInChI=1S/C31H30N4O4/c1-35(20-21-11-16-28(37-2)29(19-21)38-3)17-18-39-23-14-12-22(13-15-23)32-31(36)24-7-6-10-27-30(24)34-26-9-5-4-8-25(26)33-27/h4-16,19H,17-18,20H2,1-3H3,(H,32,36)
InChIKeyBEZUGFNZJAOBJX-UHFFFAOYSA-N
MW522.61 g/mol
LogP5.56
Rot. Bonds10

About N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide

N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide (PubChem CID 10414406) has the molecular formula C31H30N4O4 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide
PubChem CID10414406
Molecular FormulaC31H30N4O4
Molecular Weight522.61 g/mol
Exact Mass522.23
IUPAC NameN-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide
SMILESCOc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4nc5ccccc5nc34)cc2)cc1OC
InChIInChI=1S/C31H30N4O4/c1-35(20-21-11-16-28(37-2)29(19-21)38-3)17-18-39-23-14-12-22(13-15-23)32-31(36)24-7-6-10-27-30(24)34-26-9-5-4-8-25(26)33-27/h4-16,19H,17-18,20H2,1-3H3,(H,32,36)
InChIKeyBEZUGFNZJAOBJX-UHFFFAOYSA-N
XLogP5.56
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(8-quinolinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 834644
4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9951487
N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10111729
4-Benzyloxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10114847
4-Methoxy-benzo[a]phenazine-11-carboxylic acid (3-dimethylamino-propyl)-amide
CID 10134873
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide
CID 10136807
2-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10156262
4-Ethoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10157106
4-Cyanomethoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10157757
[11-(2-Dimethylamino-ethylcarbamoyl)-benzo[a]phenazin-4-yloxy]-acetic acid ethyl ester
CID 10160849
4-Methoxy-benzo[a]phenazine-11-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10180151
4-(3-cyanopropoxy)-N-[2-(dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide
CID 10180912

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide?
The IUPAC name of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide (CID 10414406) is N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide.
What is the SMILES notation for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide?
The canonical SMILES for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide is COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4nc5ccccc5nc34)cc2)cc1OC.
What is the InChIKey of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide?
The InChIKey is BEZUGFNZJAOBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O4/c1-35(20-21-11-16-28(37-2)29(19-21)38-3)17-18-39-23-14-12-22(13-15-23)32-31(36)24-7-6-10-27-30(24)34-26-9-5-4-8-25(26)33-27/h4-16,19H,17-18,20H2,1-3H3,(H,32,36).
What are the key properties of N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide?
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethoxy]phenyl]phenazine-1-carboxamide is sourced from PubChem (CID 10414406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).