N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine

C18H23N3 — CID 114412568

IUPACN-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC=CCC2)nc2ccccc12
InChIInChI=1S/C18H23N3/c1-2-10-19-14-15-13-18(21-11-6-3-7-12-21)20-17-9-5-4-8-16(15)17/h3-6,8-9,13,19H,2,7,10-12,14H2,1H3
InChIKeyJFZDTGYZJVZVBB-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine

N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine (PubChem CID 114412568) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
PubChem CID114412568
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CC=CCC2)nc2ccccc12
InChIInChI=1S/C18H23N3/c1-2-10-19-14-15-13-18(21-11-6-3-7-12-21)20-17-9-5-4-8-16(15)17/h3-6,8-9,13,19H,2,7,10-12,14H2,1H3
InChIKeyJFZDTGYZJVZVBB-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine (CID 114412568) is N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine is CCCNCc1cc(N2CC=CCC2)nc2ccccc12.
What is the InChIKey of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
The InChIKey is JFZDTGYZJVZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-10-19-14-15-13-18(21-11-6-3-7-12-21)20-17-9-5-4-8-16(15)17/h3-6,8-9,13,19H,2,7,10-12,14H2,1H3.
What are the key properties of N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine?
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,6-dihydro-2H-pyridin-1-yl)quinolin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114412568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).