methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate

C15H14N4O2 — CID 103545848

IUPACmethyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(Cc2cccc3cccnc23)c1N
InChIInChI=1S/C15H14N4O2/c1-21-15(20)13-14(16)19(9-18-13)8-11-5-2-4-10-6-3-7-17-12(10)11/h2-7,9H,8,16H2,1H3
InChIKeyLHXMLSHGCHZHJU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds3

About methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate

methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate (PubChem CID 103545848) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
PubChem CID103545848
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(Cc2cccc3cccnc23)c1N
InChIInChI=1S/C15H14N4O2/c1-21-15(20)13-14(16)19(9-18-13)8-11-5-2-4-10-6-3-7-17-12(10)11/h2-7,9H,8,16H2,1H3
InChIKeyLHXMLSHGCHZHJU-UHFFFAOYSA-N
XLogP1.85
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-[(2-methyl-3-nitrophenyl)methyl]imidazole-4-carboxylate
CID 103546328
methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
methyl 2-(quinolin-8-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 81435793
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
ethyl 2-quinolin-8-ylacetate
CID 52562898
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate (CID 103545848) is methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate is COC(=O)c1ncn(Cc2cccc3cccnc23)c1N.
What is the InChIKey of methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate?
The InChIKey is LHXMLSHGCHZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-15(20)13-14(16)19(9-18-13)8-11-5-2-4-10-6-3-7-17-12(10)11/h2-7,9H,8,16H2,1H3.
What are the key properties of methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate?
methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).