(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine

C17H17N3 — CID 28644871

IUPAC(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccc2cccnc12)c1ccncc1
InChIInChI=1S/C17H17N3/c1-13(14-7-10-18-11-8-14)20-12-16-5-2-4-15-6-3-9-19-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyNUNXLAPMBQPTCK-CYBMUJFWSA-N
MW263.34 g/mol
LogP3.48
Rot. Bonds4

About (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine

(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 28644871) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID28644871
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccc2cccnc12)c1ccncc1
InChIInChI=1S/C17H17N3/c1-13(14-7-10-18-11-8-14)20-12-16-5-2-4-15-6-3-9-19-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyNUNXLAPMBQPTCK-CYBMUJFWSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 166194426
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459
1-(4-methyl-1,3-thiazol-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 63090006
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine (CID 28644871) is (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine is C[C@@H](NCc1cccc2cccnc12)c1ccncc1.
What is the InChIKey of (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is NUNXLAPMBQPTCK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(14-7-10-18-11-8-14)20-12-16-5-2-4-15-6-3-9-19-17(15)16/h2-11,13,20H,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine?
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 28644871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).