4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine

C21H33N3O2 — CID 3058468

IUPAC4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nc(C)cc(OC)c2c1OC
InChIInChI=1S/C21H33N3O2/c1-7-24(8-2)13-9-10-15(3)22-18-12-11-17-20(21(18)26-6)19(25-5)14-16(4)23-17/h11-12,14-15,22H,7-10,13H2,1-6H3
InChIKeyUAVICPXQMFODDJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.48
Rot. Bonds10

About 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 3058468) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID3058468
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccc2nc(C)cc(OC)c2c1OC
InChIInChI=1S/C21H33N3O2/c1-7-24(8-2)13-9-10-15(3)22-18-12-11-17-20(21(18)26-6)19(25-5)14-16(4)23-17/h11-12,14-15,22H,7-10,13H2,1-6H3
InChIKeyUAVICPXQMFODDJ-UHFFFAOYSA-N
XLogP4.48
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 3058468) is 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1ccc2nc(C)cc(OC)c2c1OC.
What is the InChIKey of 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is UAVICPXQMFODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-7-24(8-2)13-9-10-15(3)22-18-12-11-17-20(21(18)26-6)19(25-5)14-16(4)23-17/h11-12,14-15,22H,7-10,13H2,1-6H3.
What are the key properties of 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 359.51 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethoxy-2-methylquinolin-6-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 3058468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).