4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine

C22H24N6 — CID 149004364

IUPAC4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCCCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C22H24N6/c23-17-13-27-19-9-3-1-7-15(19)21(17)25-11-5-6-12-26-22-16-8-2-4-10-20(16)28-14-18(22)24/h1-4,7-10,13-14H,5-6,11-12,23-24H2,(H,25,27)(H,26,28)
InChIKeyQAHAEZNCFZLWMB-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.25
Rot. Bonds7

About 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine (PubChem CID 149004364) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
PubChem CID149004364
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCCCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C22H24N6/c23-17-13-27-19-9-3-1-7-15(19)21(17)25-11-5-6-12-26-22-16-8-2-4-10-20(16)28-14-18(22)24/h1-4,7-10,13-14H,5-6,11-12,23-24H2,(H,25,27)(H,26,28)
InChIKeyQAHAEZNCFZLWMB-UHFFFAOYSA-N
XLogP4.25
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine with MolForge

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Related Compounds

4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-(5-phenylsulfanylpentyl)quinoline-3,4-diamine
CID 86588279
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005
3-[(3-aminoquinolin-4-yl)amino]propyl-tert-butylcarbamic acid
CID 67052445
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
CID 103963489

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine (CID 149004364) is 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCCCCNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine?
The InChIKey is QAHAEZNCFZLWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c23-17-13-27-19-9-3-1-7-15(19)21(17)25-11-5-6-12-26-22-16-8-2-4-10-20(16)28-14-18(22)24/h1-4,7-10,13-14H,5-6,11-12,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine?
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine has a molecular weight of 372.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine is sourced from PubChem (CID 149004364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).