methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate

C17H19N5O2 — CID 166312790

IUPACmethyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(NCCn3cnc(C)c3C)c2c1
InChIInChI=1S/C17H19N5O2/c1-11-12(2)22(10-21-11)7-6-18-16-14-8-13(17(23)24-3)4-5-15(14)19-9-20-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyIHEHRSBMYMGNQB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds5

About methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate

methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate (PubChem CID 166312790) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate
PubChem CID166312790
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Namemethyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncnc(NCCn3cnc(C)c3C)c2c1
InChIInChI=1S/C17H19N5O2/c1-11-12(2)22(10-21-11)7-6-18-16-14-8-13(17(23)24-3)4-5-15(14)19-9-20-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyIHEHRSBMYMGNQB-UHFFFAOYSA-N
XLogP2.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
Methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130276131
Benzyl 2,4-diaminoquinazoline-6-carboxylate
CID 487401
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
4-(2-Quinoxalinylamino)benzoic acid ethyl ester
CID 1482857
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester
CID 11247947
4-[(2-Chloro-9-propan-2-ylpurin-6-yl)amino]benzoic acid
CID 16746121
ethyl 4-(3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxopyridin-1(2H)-yl)benzoate
CID 24879244
Methyl 9-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57390253
Methyl 9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57393761
Methyl 9-[3-[(4-methoxycarbonyl-6-methyl-pyrimidin-2-yl)amino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397330
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate?
The IUPAC name of methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate (CID 166312790) is methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate.
What is the SMILES notation for methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate?
The canonical SMILES for methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate is COC(=O)c1ccc2ncnc(NCCn3cnc(C)c3C)c2c1.
What is the InChIKey of methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate?
The InChIKey is IHEHRSBMYMGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-12(2)22(10-21-11)7-6-18-16-14-8-13(17(23)24-3)4-5-15(14)19-9-20-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate?
methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4,5-dimethylimidazol-1-yl)ethylamino]quinazoline-6-carboxylate is sourced from PubChem (CID 166312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).