6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine

C17H25N3 — CID 63483498

IUPAC6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
SMILESCCCNc1cc(C)nc2ccc(N(CC)CC)cc12
InChIInChI=1S/C17H25N3/c1-5-10-18-17-11-13(4)19-16-9-8-14(12-15(16)17)20(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyMKKFSJIVEDPJQU-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.21
Rot. Bonds6

About 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine

6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine (PubChem CID 63483498) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
PubChem CID63483498
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
SMILESCCCNc1cc(C)nc2ccc(N(CC)CC)cc12
InChIInChI=1S/C17H25N3/c1-5-10-18-17-11-13(4)19-16-9-8-14(12-15(16)17)20(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyMKKFSJIVEDPJQU-UHFFFAOYSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine (CID 63483498) is 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine is CCCNc1cc(C)nc2ccc(N(CC)CC)cc12.
What is the InChIKey of 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine?
The InChIKey is MKKFSJIVEDPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-10-18-17-11-13(4)19-16-9-8-14(12-15(16)17)20(6-2)7-3/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine?
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine has a molecular weight of 271.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine is sourced from PubChem (CID 63483498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).