4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

C18H25ClFN3 — CID 127027357

IUPAC4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc2cc(Cl)ccc2cc1F
InChIInChI=1S/C18H25ClFN3/c1-4-23(5-2)10-6-7-13(3)21-18-16(20)11-14-8-9-15(19)12-17(14)22-18/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyTUOQAAIJBQQSEV-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.95
Rot. Bonds8

About 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 127027357) has the molecular formula C18H25ClFN3 and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID127027357
Molecular FormulaC18H25ClFN3
Molecular Weight337.87 g/mol
Exact Mass337.17
IUPAC Name4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc2cc(Cl)ccc2cc1F
InChIInChI=1S/C18H25ClFN3/c1-4-23(5-2)10-6-7-13(3)21-18-16(20)11-14-8-9-15(19)12-17(14)22-18/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyTUOQAAIJBQQSEV-UHFFFAOYSA-N
XLogP4.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.95
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-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 127027357) is 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc2cc(Cl)ccc2cc1F.
What is the InChIKey of 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is TUOQAAIJBQQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3/c1-4-23(5-2)10-6-7-13(3)21-18-16(20)11-14-8-9-15(19)12-17(14)22-18/h8-9,11-13H,4-7,10H2,1-3H3,(H,21,22).
What are the key properties of 4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 337.87 g/mol, XLogP of 4.95, 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-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 127027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).