5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine

C29H27ClN6O — CID 56592451

IUPAC5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C29H27ClN6O/c30-21-7-9-23(10-8-21)36-28-6-2-1-5-24(28)34-27-18-26(33-22-4-3-11-31-20-22)25(19-29(27)36)32-12-13-35-14-16-37-17-15-35/h1-11,18-20,33H,12-17H2/b32-25+
InChIKeyRNVODBQQKDBPHJ-WGPBWIAQSA-N
MW511.03 g/mol
LogP5.16
Rot. Bonds6

About 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592451) has the molecular formula C29H27ClN6O and a molecular weight of 511.03 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592451
Molecular FormulaC29H27ClN6O
Molecular Weight511.03 g/mol
Exact Mass510.19
IUPAC Name5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C29H27ClN6O/c30-21-7-9-23(10-8-21)36-28-6-2-1-5-24(28)34-27-18-26(33-22-4-3-11-31-20-22)25(19-29(27)36)32-12-13-35-14-16-37-17-15-35/h1-11,18-20,33H,12-17H2/b32-25+
InChIKeyRNVODBQQKDBPHJ-WGPBWIAQSA-N
XLogP5.16
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.03
LogP ≤ 55.16
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

5-(4-chlorophenyl)-3-[4-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine;hydrochloride
CID 118721515
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
CID 118721517
5-(4-chlorophenyl)-3-[4-(dimethylamino)butylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164616047
5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
CID 164616665
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 53377578
5-(4-chlorophenyl)-3-(2-piperidin-1-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
CID 164610793
5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164615139
5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine
CID 164620429
5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164620749
5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164622369
5-(4-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)ethylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164623207
5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine
CID 164623770

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine (CID 56592451) is 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine is Clc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is RNVODBQQKDBPHJ-WGPBWIAQSA-N. The full InChI is InChI=1S/C29H27ClN6O/c30-21-7-9-23(10-8-21)36-28-6-2-1-5-24(28)34-27-18-26(33-22-4-3-11-31-20-22)25(19-29(27)36)32-12-13-35-14-16-37-17-15-35/h1-11,18-20,33H,12-17H2/b32-25+.
What are the key properties of 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 511.03 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).