3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine

C15H17N5 — CID 105187594

IUPAC3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
SMILESCn1ccnc1CCC(N)c1cccc2nccnc12
InChIInChI=1S/C15H17N5/c1-20-10-9-18-14(20)6-5-12(16)11-3-2-4-13-15(11)19-8-7-17-13/h2-4,7-10,12H,5-6,16H2,1H3
InChIKeySEGKMINGPDTUDS-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.00
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine

3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine (PubChem CID 105187594) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
PubChem CID105187594
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
SMILESCn1ccnc1CCC(N)c1cccc2nccnc12
InChIInChI=1S/C15H17N5/c1-20-10-9-18-14(20)6-5-12(16)11-3-2-4-13-15(11)19-8-7-17-13/h2-4,7-10,12H,5-6,16H2,1H3
InChIKeySEGKMINGPDTUDS-UHFFFAOYSA-N
XLogP2.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
N-ethyl-2-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylethanamine
CID 105167077
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105066124
2-(1-methylimidazol-2-yl)-1-quinolin-4-ylethanamine
CID 105167218
2-(2-propyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanamine
CID 105162499
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine (CID 105187594) is 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine is Cn1ccnc1CCC(N)c1cccc2nccnc12.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine?
The InChIKey is SEGKMINGPDTUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20-10-9-18-14(20)6-5-12(16)11-3-2-4-13-15(11)19-8-7-17-13/h2-4,7-10,12H,5-6,16H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine?
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine is sourced from PubChem (CID 105187594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).