N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide

C22H22N4O3 — CID 135433064

IUPACN-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3ccc(O)c(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H22N4O3/c1-26(2)12-11-23-22(28)19-17(27)10-9-16-21(19)25-20-14-5-4-6-18(29-3)13(14)7-8-15(20)24-16/h4-10,27H,11-12H2,1-3H3,(H,23,28)
InChIKeyMSCBHPWVZOZTCR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 135433064) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID135433064
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3ccc(O)c(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H22N4O3/c1-26(2)12-11-23-22(28)19-17(27)10-9-16-21(19)25-20-14-5-4-6-18(29-3)13(14)7-8-15(20)24-16/h4-10,27H,11-12H2,1-3H3,(H,23,28)
InChIKeyMSCBHPWVZOZTCR-UHFFFAOYSA-N
XLogP2.94
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 9886593
CID 9886593
CID 11090378
CID 11090378
CID 9951487
CID 9951487
CID 10111729
CID 10111729
CID 10111730
CID 10111730
CID 10112144
CID 10112144
CID 10112617
CID 10112617
CID 10114847
CID 10114847
CID 10119896
CID 10119896
CID 10134122
CID 10134122
CID 10134873
CID 10134873
CID 10136807
CID 10136807

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide (CID 135433064) is N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3ccc(O)c(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is MSCBHPWVZOZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26(2)12-11-23-22(28)19-17(27)10-9-16-21(19)25-20-14-5-4-6-18(29-3)13(14)7-8-15(20)24-16/h4-10,27H,11-12H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 135433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).