2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine

C17H23N3 — CID 63180985

IUPAC2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
SMILESCCCNc1cc(C)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C17H23N3/c1-3-8-18-17-11-13(2)19-16-7-6-14(12-15(16)17)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyAYMHCWOHIUOPCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.97
Rot. Bonds4

About 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine

2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine (PubChem CID 63180985) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
PubChem CID63180985
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
SMILESCCCNc1cc(C)nc2ccc(N3CCCC3)cc12
InChIInChI=1S/C17H23N3/c1-3-8-18-17-11-13(2)19-16-7-6-14(12-15(16)17)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyAYMHCWOHIUOPCR-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine (CID 63180985) is 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine is CCCNc1cc(C)nc2ccc(N3CCCC3)cc12.
What is the InChIKey of 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine?
The InChIKey is AYMHCWOHIUOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-8-18-17-11-13(2)19-16-7-6-14(12-15(16)17)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine?
2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine is sourced from PubChem (CID 63180985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).