ethyl 2-[methyl(quinazolin-4-yl)amino]acetate

C13H15N3O2 — CID 62006339

IUPACethyl 2-[methyl(quinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncnc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-3-18-12(17)8-16(2)13-10-6-4-5-7-11(10)14-9-15-13/h4-7,9H,3,8H2,1-2H3
InChIKeyVGTBSQYTLFARSP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-[methyl(quinazolin-4-yl)amino]acetate

ethyl 2-[methyl(quinazolin-4-yl)amino]acetate (PubChem CID 62006339) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-[methyl(quinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(quinazolin-4-yl)amino]acetate
PubChem CID62006339
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-[methyl(quinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1ncnc2ccccc12
InChIInChI=1S/C13H15N3O2/c1-3-18-12(17)8-16(2)13-10-6-4-5-7-11(10)14-9-15-13/h4-7,9H,3,8H2,1-2H3
InChIKeyVGTBSQYTLFARSP-UHFFFAOYSA-N
XLogP1.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
CID 62005398
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
N-(4-ethylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437352
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine
CID 146283213
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
CID 62006591
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361
N-(3-acetylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437365

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(quinazolin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(quinazolin-4-yl)amino]acetate (CID 62006339) is ethyl 2-[methyl(quinazolin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(quinazolin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(quinazolin-4-yl)amino]acetate is CCOC(=O)CN(C)c1ncnc2ccccc12.
What is the InChIKey of ethyl 2-[methyl(quinazolin-4-yl)amino]acetate?
The InChIKey is VGTBSQYTLFARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-12(17)8-16(2)13-10-6-4-5-7-11(10)14-9-15-13/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[methyl(quinazolin-4-yl)amino]acetate?
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(quinazolin-4-yl)amino]acetate is sourced from PubChem (CID 62006339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).