4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine

C21H32ClN3O — CID 3069064

IUPAC4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(Cl)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C21H32ClN3O/c1-7-25(8-2)11-9-10-15(4)23-18-13-17(22)20-19(21(18)26-6)14(3)12-16(5)24-20/h12-13,15,23H,7-11H2,1-6H3
InChIKeyIXVRIUSIPIPNSX-UHFFFAOYSA-N
MW377.96 g/mol
LogP5.44
Rot. Bonds9

About 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 3069064) has the molecular formula C21H32ClN3O and a molecular weight of 377.96 g/mol. Its IUPAC name is 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID3069064
Molecular FormulaC21H32ClN3O
Molecular Weight377.96 g/mol
Exact Mass377.22
IUPAC Name4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(Cl)c2nc(C)cc(C)c2c1OC
InChIInChI=1S/C21H32ClN3O/c1-7-25(8-2)11-9-10-15(4)23-18-13-17(22)20-19(21(18)26-6)14(3)12-16(5)24-20/h12-13,15,23H,7-11H2,1-6H3
InChIKeyIXVRIUSIPIPNSX-UHFFFAOYSA-N
XLogP5.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.96
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 3069064) is 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(Cl)c2nc(C)cc(C)c2c1OC.
What is the InChIKey of 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is IXVRIUSIPIPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O/c1-7-25(8-2)11-9-10-15(4)23-18-13-17(22)20-19(21(18)26-6)14(3)12-16(5)24-20/h12-13,15,23H,7-11H2,1-6H3.
What are the key properties of 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 377.96 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-chloro-5-methoxy-2,4-dimethylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 3069064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).