N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine

C25H32ClN3O — CID 3786392

IUPACN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine
SMILESCCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(OC)cc1
InChIInChI=1S/C25H32ClN3O/c1-5-29(6-2)14-13-20(19-7-10-22(30-4)11-8-19)17-28-25-18(3)16-27-24-15-21(26)9-12-23(24)25/h7-12,15-16,20H,5-6,13-14,17H2,1-4H3,(H,27,28)
InChIKeyWNOPQOBBHZSJKO-UHFFFAOYSA-N
MW426.00 g/mol
LogP6.13
Rot. Bonds10

About N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine

N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine (PubChem CID 3786392) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine
PubChem CID3786392
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine
SMILESCCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(OC)cc1
InChIInChI=1S/C25H32ClN3O/c1-5-29(6-2)14-13-20(19-7-10-22(30-4)11-8-19)17-28-25-18(3)16-27-24-15-21(26)9-12-23(24)25/h7-12,15-16,20H,5-6,13-14,17H2,1-4H3,(H,27,28)
InChIKeyWNOPQOBBHZSJKO-UHFFFAOYSA-N
XLogP6.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine with MolForge

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Related Compounds

N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 58467346
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-dimethyl-2-phenylbutane-1,4-diamine;dihydrochloride
CID 131880714
1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
CID 3828202
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
(1S)-N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-pyridin-4-ylbutane-1,4-diamine
CID 92858360
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
2-(7-chloro-4-methylquinolin-2-yl)oxy-N,N-diethylethanamine
CID 154130691

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine?
The IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine (CID 3786392) is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine?
The canonical SMILES for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine is CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(OC)cc1.
What is the InChIKey of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine?
The InChIKey is WNOPQOBBHZSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-5-29(6-2)14-13-20(19-7-10-22(30-4)11-8-19)17-28-25-18(3)16-27-24-15-21(26)9-12-23(24)25/h7-12,15-16,20H,5-6,13-14,17H2,1-4H3,(H,27,28).
What are the key properties of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine?
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine has a molecular weight of 426.00 g/mol, XLogP of 6.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 3786392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).