2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine

C18H23N3 — CID 80638369

IUPAC2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1c2ccccc2CCC1C
InChIInChI=1S/C18H23N3/c1-13-11-15(9-10-19)12-20-18(13)21-14(2)7-8-16-5-3-4-6-17(16)21/h3-6,11-12,14H,7-10,19H2,1-2H3
InChIKeyRNVQXRXCEVZEKI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.36
Rot. Bonds3

About 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine

2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80638369) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80638369
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
SMILESCc1cc(CCN)cnc1N1c2ccccc2CCC1C
InChIInChI=1S/C18H23N3/c1-13-11-15(9-10-19)12-20-18(13)21-14(2)7-8-16-5-3-4-6-17(16)21/h3-6,11-12,14H,7-10,19H2,1-2H3
InChIKeyRNVQXRXCEVZEKI-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine (CID 80638369) is 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine is Cc1cc(CCN)cnc1N1c2ccccc2CCC1C.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is RNVQXRXCEVZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-11-15(9-10-19)12-20-18(13)21-14(2)7-8-16-5-3-4-6-17(16)21/h3-6,11-12,14H,7-10,19H2,1-2H3.
What are the key properties of 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine?
2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80638369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).