N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine

C18H25N3 — CID 62286928

IUPACN-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCCC2C)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-10-19-13-15-12-18(21-11-6-7-14(21)2)20-17-9-5-4-8-16(15)17/h4-5,8-9,12,14,19H,3,6-7,10-11,13H2,1-2H3
InChIKeyZBBQVLKWDHJKMN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds5

About N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine

N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine (PubChem CID 62286928) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine
PubChem CID62286928
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCCC2C)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-3-10-19-13-15-12-18(21-11-6-7-14(21)2)20-17-9-5-4-8-16(15)17/h4-5,8-9,12,14,19H,3,6-7,10-11,13H2,1-2H3
InChIKeyZBBQVLKWDHJKMN-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine (CID 62286928) is N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine is CCCNCc1cc(N2CCCC2C)nc2ccccc12.
What is the InChIKey of N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The InChIKey is ZBBQVLKWDHJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-10-19-13-15-12-18(21-11-6-7-14(21)2)20-17-9-5-4-8-16(15)17/h4-5,8-9,12,14,19H,3,6-7,10-11,13H2,1-2H3.
What are the key properties of N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62286928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).