1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine

C20H31N3O — CID 3828202

IUPAC1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(C)cnc2cc(OC)ccc12
InChIInChI=1S/C20H31N3O/c1-6-23(7-2)12-8-9-16(4)22-20-15(3)14-21-19-13-17(24-5)10-11-18(19)20/h10-11,13-14,16H,6-9,12H2,1-5H3,(H,21,22)
InChIKeyKCQTYUFADUWGIA-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.47
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine (PubChem CID 3828202) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
PubChem CID3828202
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(C)cnc2cc(OC)ccc12
InChIInChI=1S/C20H31N3O/c1-6-23(7-2)12-8-9-16(4)22-20-15(3)14-21-19-13-17(24-5)10-11-18(19)20/h10-11,13-14,16H,6-9,12H2,1-5H3,(H,21,22)
InChIKeyKCQTYUFADUWGIA-UHFFFAOYSA-N
XLogP4.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine with MolForge

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Related Compounds

(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
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
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine
CID 3786392
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 58467346
(4S)-1-N,1-N-bis(2-chloroethyl)-4-N-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine
CID 21158865
4-N-(4,6-dimethoxypyrimidin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 115354932
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
N',N'-diethyl-N-(7-methoxyquinazolin-4-yl)butane-1,4-diamine
CID 21003124
5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
CID 44531335

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine (CID 3828202) is 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c(C)cnc2cc(OC)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine?
The InChIKey is KCQTYUFADUWGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-6-23(7-2)12-8-9-16(4)22-20-15(3)14-21-19-13-17(24-5)10-11-18(19)20/h10-11,13-14,16H,6-9,12H2,1-5H3,(H,21,22).
What are the key properties of 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(7-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 3828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).