1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine

C43H48N4 — CID 10371688

IUPAC1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine
SMILESCc1c/c(=N\CCCCCCCCCC/N=c2\ccn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C43H48N4/c1-35-32-41(39-25-15-17-27-43(39)47(35)34-37-22-12-9-13-23-37)45-30-19-7-5-3-2-4-6-18-29-44-40-28-31-46(33-36-20-10-8-11-21-36)42-26-16-14-24-38(40)42/h8-17,20-28,31-32H,2-7,18-19,29-30,33-34H2,1H3/b44-40+,45-41+
InChIKeyYJJVSKUFIRDWBE-QEXFJYHKSA-N
MW620.89 g/mol
LogP9.62
Rot. Bonds15

About 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine

1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine (PubChem CID 10371688) has the molecular formula C43H48N4 and a molecular weight of 620.89 g/mol. Its IUPAC name is 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine.

Molecular Properties

Compound Name1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine
PubChem CID10371688
Molecular FormulaC43H48N4
Molecular Weight620.89 g/mol
Exact Mass620.39
IUPAC Name1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine
SMILESCc1c/c(=N\CCCCCCCCCC/N=c2\ccn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C43H48N4/c1-35-32-41(39-25-15-17-27-43(39)47(35)34-37-22-12-9-13-23-37)45-30-19-7-5-3-2-4-6-18-29-44-40-28-31-46(33-36-20-10-8-11-21-36)42-26-16-14-24-38(40)42/h8-17,20-28,31-32H,2-7,18-19,29-30,33-34H2,1H3/b44-40+,45-41+
InChIKeyYJJVSKUFIRDWBE-QEXFJYHKSA-N
XLogP9.62
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.89
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine?
The IUPAC name of 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine (CID 10371688) is 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine.
What is the SMILES notation for 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine?
The canonical SMILES for 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine is Cc1c/c(=N\CCCCCCCCCC/N=c2\ccn(Cc3ccccc3)c3ccccc23)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine?
The InChIKey is YJJVSKUFIRDWBE-QEXFJYHKSA-N. The full InChI is InChI=1S/C43H48N4/c1-35-32-41(39-25-15-17-27-43(39)47(35)34-37-22-12-9-13-23-37)45-30-19-7-5-3-2-4-6-18-29-44-40-28-31-46(33-36-20-10-8-11-21-36)42-26-16-14-24-38(40)42/h8-17,20-28,31-32H,2-7,18-19,29-30,33-34H2,1H3/b44-40+,45-41+.
What are the key properties of 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine?
1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine has a molecular weight of 620.89 g/mol, XLogP of 9.62, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[10-[(1-benzylquinolin-4-ylidene)amino]decyl]-2-methylquinolin-4-imine is sourced from PubChem (CID 10371688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).