N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride

C35H33ClN4O2 — CID 44531642

IUPACN,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc2nc(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)nc4ccc(OC)cc34)c2c1.Cl
InChIInChI=1S/C35H32N4O2.ClH/c1-40-26-14-16-30-28(20-26)34(22-32(38-30)24-10-5-3-6-11-24)36-18-9-19-37-35-23-33(25-12-7-4-8-13-25)39-31-17-15-27(41-2)21-29(31)35;/h3-8,10-17,20-23H,9,18-19H2,1-2H3,(H,36,38)(H,37,39);1H
InChIKeyNKGWPNXIXFXUPP-UHFFFAOYSA-N
MW577.13 g/mol
LogP8.47
Rot. Bonds10

About N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride

N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride (PubChem CID 44531642) has the molecular formula C35H33ClN4O2 and a molecular weight of 577.13 g/mol. Its IUPAC name is N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride
PubChem CID44531642
Molecular FormulaC35H33ClN4O2
Molecular Weight577.13 g/mol
Exact Mass576.23
IUPAC NameN,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc2nc(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)nc4ccc(OC)cc34)c2c1.Cl
InChIInChI=1S/C35H32N4O2.ClH/c1-40-26-14-16-30-28(20-26)34(22-32(38-30)24-10-5-3-6-11-24)36-18-9-19-37-35-23-33(25-12-7-4-8-13-25)39-31-17-15-27(41-2)21-29(31)35;/h3-8,10-17,20-23H,9,18-19H2,1-2H3,(H,36,38)(H,37,39);1H
InChIKeyNKGWPNXIXFXUPP-UHFFFAOYSA-N
XLogP8.47
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.13
LogP ≤ 58.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(R)-quinacrine
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7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
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Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
CID 3025617

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride (CID 44531642) is N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride is COc1ccc2nc(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)nc4ccc(OC)cc34)c2c1.Cl.
What is the InChIKey of N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is NKGWPNXIXFXUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O2.ClH/c1-40-26-14-16-30-28(20-26)34(22-32(38-30)24-10-5-3-6-11-24)36-18-9-19-37-35-23-33(25-12-7-4-8-13-25)39-31-17-15-27(41-2)21-29(31)35;/h3-8,10-17,20-23H,9,18-19H2,1-2H3,(H,36,38)(H,37,39);1H.
What are the key properties of N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride?
N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 577.13 g/mol, XLogP of 8.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-methoxy-2-phenylquinolin-4-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 44531642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).