5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine

C31H30ClN5O — CID 53377578

IUPAC5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1
InChIInChI=1S/C31H30ClN5O/c1-20-7-10-23(19-33-20)35-27-17-29-31(18-28(27)34-22-11-15-25(38-2)16-12-22)37(24-13-8-21(32)9-14-24)30-6-4-3-5-26(30)36-29/h3-10,13-14,17-19,22,25,35H,11-12,15-16H2,1-2H3/b34-28+
InChIKeyNNNUYRWZSCFIDN-CDSHQWRTSA-N
MW524.07 g/mol
LogP7.09
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine

5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 53377578) has the molecular formula C31H30ClN5O and a molecular weight of 524.07 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID53377578
Molecular FormulaC31H30ClN5O
Molecular Weight524.07 g/mol
Exact Mass523.21
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1
InChIInChI=1S/C31H30ClN5O/c1-20-7-10-23(19-33-20)35-27-17-29-31(18-28(27)34-22-11-15-25(38-2)16-12-22)37(24-13-8-21(32)9-14-24)30-6-4-3-5-26(30)36-29/h3-10,13-14,17-19,22,25,35H,11-12,15-16H2,1-2H3/b34-28+
InChIKeyNNNUYRWZSCFIDN-CDSHQWRTSA-N
XLogP7.09
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.07
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine (CID 53377578) is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is NNNUYRWZSCFIDN-CDSHQWRTSA-N. The full InChI is InChI=1S/C31H30ClN5O/c1-20-7-10-23(19-33-20)35-27-17-29-31(18-28(27)34-22-11-15-25(38-2)16-12-22)37(24-13-8-21(32)9-14-24)30-6-4-3-5-26(30)36-29/h3-10,13-14,17-19,22,25,35H,11-12,15-16H2,1-2H3/b34-28+.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 524.07 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 53377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).