1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine

C19H18N4 — CID 166194426

IUPAC1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC(NCc1cccc2cccnc12)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H18N4/c1-13(15-7-8-18-17(10-15)12-22-23-18)21-11-16-5-2-4-14-6-3-9-20-19(14)16/h2-10,12-13,21H,11H2,1H3,(H,22,23)
InChIKeyDJKQBENWBQPUQY-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.96
Rot. Bonds4

About 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine

1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 166194426) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID166194426
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC(NCc1cccc2cccnc12)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H18N4/c1-13(15-7-8-18-17(10-15)12-22-23-18)21-11-16-5-2-4-14-6-3-9-20-19(14)16/h2-10,12-13,21H,11H2,1H3,(H,22,23)
InChIKeyDJKQBENWBQPUQY-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 102612589
1-(1H-indazol-6-yl)-N-[(2-methylsulfonylphenyl)methyl]ethanamine
CID 167805589
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
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine (CID 166194426) is 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine is CC(NCc1cccc2cccnc12)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is DJKQBENWBQPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13(15-7-8-18-17(10-15)12-22-23-18)21-11-16-5-2-4-14-6-3-9-20-19(14)16/h2-10,12-13,21H,11H2,1H3,(H,22,23).
What are the key properties of 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine?
1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 302.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 166194426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).