4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C19H28ClN3 — CID 3708113

IUPAC4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12
InChIInChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyGYFRJEFMZQFVLO-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.12
Rot. Bonds8

About 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 3708113) has the molecular formula C19H28ClN3 and a molecular weight of 333.91 g/mol. Its IUPAC name is 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID3708113
Molecular FormulaC19H28ClN3
Molecular Weight333.91 g/mol
Exact Mass333.20
IUPAC Name4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12
InChIInChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)
InChIKeyGYFRJEFMZQFVLO-UHFFFAOYSA-N
XLogP5.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 3708113) is 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12.
What is the InChIKey of 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is GYFRJEFMZQFVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22).
What are the key properties of 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 333.91 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloro-2-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 3708113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).