3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride

C20H25Cl2N3 — CID 90459061

IUPAC3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
SMILESCC(C)(N)CCNc1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H23N3.2ClH/c1-20(2,21)12-13-22-19-14-18(15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)19;;/h3-11,14H,12-13,21H2,1-2H3,(H,22,23);2*1H
InChIKeyIKEAOPYZZVXOHH-UHFFFAOYSA-N
MW378.35 g/mol
LogP5.28
Rot. Bonds5

About 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride

3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride (PubChem CID 90459061) has the molecular formula C20H25Cl2N3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
PubChem CID90459061
Molecular FormulaC20H25Cl2N3
Molecular Weight378.35 g/mol
Exact Mass377.14
IUPAC Name3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
SMILESCC(C)(N)CCNc1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C20H23N3.2ClH/c1-20(2,21)12-13-22-19-14-18(15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)19;;/h3-11,14H,12-13,21H2,1-2H3,(H,22,23);2*1H
InChIKeyIKEAOPYZZVXOHH-UHFFFAOYSA-N
XLogP5.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-[(2-phenylquinolin-4-yl)amino]ethanol;hydrochloride
CID 18432992
3-methyl-1-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]butane-1,3-diamine
CID 175736454
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
3-methyl-1-N-(2-naphthalen-2-ylquinazolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 69076320
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880
2-phenyl-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 139593926
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 130365852
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride?
The IUPAC name of 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride (CID 90459061) is 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride?
The canonical SMILES for 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride is CC(C)(N)CCNc1cc(-c2ccccc2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride?
The InChIKey is IKEAOPYZZVXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.2ClH/c1-20(2,21)12-13-22-19-14-18(15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)19;;/h3-11,14H,12-13,21H2,1-2H3,(H,22,23);2*1H.
What are the key properties of 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride?
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 90459061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).