N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine

C17H18N4 — CID 105172000

IUPACN-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1cccc2ncccc12
InChIInChI=1S/C17H18N4/c1-3-18-17(16-11-20-12(2)10-21-16)14-6-4-8-15-13(14)7-5-9-19-15/h4-11,17-18H,3H2,1-2H3
InChIKeyUKISWONSUJPBRZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine

N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine (PubChem CID 105172000) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
PubChem CID105172000
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1cccc2ncccc12
InChIInChI=1S/C17H18N4/c1-3-18-17(16-11-20-12(2)10-21-16)14-6-4-8-15-13(14)7-5-9-19-15/h4-11,17-18H,3H2,1-2H3
InChIKeyUKISWONSUJPBRZ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[pyridin-2-yl(quinolin-5-yl)methyl]ethanamine
CID 81220016
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanol
CID 105118175
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanamine
CID 105171984
N-[pyrimidin-4-yl(quinolin-5-yl)methyl]ethanamine
CID 81231393
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
N-ethyl-2,2-dimethoxy-1-quinolin-5-ylethanamine
CID 81231933
N-[furan-3-yl(quinolin-5-yl)methyl]ethanamine
CID 81232108
N-[(1-methylcyclopropyl)-quinolin-5-ylmethyl]ethanamine
CID 81232158
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine (CID 105172000) is N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine is CCNC(c1cnc(C)cn1)c1cccc2ncccc12.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine?
The InChIKey is UKISWONSUJPBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-18-17(16-11-20-12(2)10-21-16)14-6-4-8-15-13(14)7-5-9-19-15/h4-11,17-18H,3H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine?
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105172000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).