1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine

C17H18N4 — CID 102612589

IUPAC1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCc1nccnc1C(C)NCc1cccc2cccnc12
InChIInChI=1S/C17H18N4/c1-12-16(20-10-9-18-12)13(2)21-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-10,13,21H,11H2,1-2H3
InChIKeyVYDMZBLWIPVXSI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine

1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 102612589) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID102612589
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCc1nccnc1C(C)NCc1cccc2cccnc12
InChIInChI=1S/C17H18N4/c1-12-16(20-10-9-18-12)13(2)21-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-10,13,21H,11H2,1-2H3
InChIKeyVYDMZBLWIPVXSI-UHFFFAOYSA-N
XLogP3.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
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)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
1-chloro-4-methyl-N-(quinolin-8-ylmethyl)pentan-3-amine
CID 106353850
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine (CID 102612589) is 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine is Cc1nccnc1C(C)NCc1cccc2cccnc12.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is VYDMZBLWIPVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-16(20-10-9-18-12)13(2)21-11-15-6-3-5-14-7-4-8-19-17(14)15/h3-10,13,21H,11H2,1-2H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine?
1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 102612589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).