N-(1H-indol-5-ylmethyl)quinoxalin-6-amine

C17H14N4 — CID 102910076

IUPACN-(1H-indol-5-ylmethyl)quinoxalin-6-amine
SMILESc1cnc2cc(NCc3ccc4[nH]ccc4c3)ccc2n1
InChIInChI=1S/C17H14N4/c1-3-15-13(5-6-18-15)9-12(1)11-21-14-2-4-16-17(10-14)20-8-7-19-16/h1-10,18,21H,11H2
InChIKeyOPQWXCJNAVNFTD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.72
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)quinoxalin-6-amine

N-(1H-indol-5-ylmethyl)quinoxalin-6-amine (PubChem CID 102910076) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)quinoxalin-6-amine
PubChem CID102910076
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-(1H-indol-5-ylmethyl)quinoxalin-6-amine
SMILESc1cnc2cc(NCc3ccc4[nH]ccc4c3)ccc2n1
InChIInChI=1S/C17H14N4/c1-3-15-13(5-6-18-15)9-12(1)11-21-14-2-4-16-17(10-14)20-8-7-19-16/h1-10,18,21H,11H2
InChIKeyOPQWXCJNAVNFTD-UHFFFAOYSA-N
XLogP3.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
N-[[4-(difluoromethyl)phenyl]methyl]quinoxalin-6-amine
CID 115523823
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)quinoxalin-6-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)quinoxalin-6-amine (CID 102910076) is N-(1H-indol-5-ylmethyl)quinoxalin-6-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)quinoxalin-6-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)quinoxalin-6-amine is c1cnc2cc(NCc3ccc4[nH]ccc4c3)ccc2n1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)quinoxalin-6-amine?
The InChIKey is OPQWXCJNAVNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-3-15-13(5-6-18-15)9-12(1)11-21-14-2-4-16-17(10-14)20-8-7-19-16/h1-10,18,21H,11H2.
What are the key properties of N-(1H-indol-5-ylmethyl)quinoxalin-6-amine?
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine has a molecular weight of 274.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 102910076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).