ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate

C15H19N3O2 — CID 114789698

IUPACethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-20-14(19)10-18(11(2)3)15-16-9-12-7-5-6-8-13(12)17-15/h5-9,11H,4,10H2,1-3H3
InChIKeyGAWJKVNYPFEFOF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.41
Rot. Bonds5

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

ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate (PubChem CID 114789698) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
PubChem CID114789698
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncc2ccccc2n1)C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-20-14(19)10-18(11(2)3)15-16-9-12-7-5-6-8-13(12)17-15/h5-9,11H,4,10H2,1-3H3
InChIKeyGAWJKVNYPFEFOF-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
CID 104606558
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
CID 103204951
2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
CID 167588136
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
CID 114998997
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
1-[methyl(quinazolin-2-yl)amino]propan-2-ol
CID 114789604
methyl 4-[methyl(quinazolin-2-yl)amino]butanoate
CID 114789702
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate (CID 114789698) is ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate is CCOC(=O)CN(c1ncc2ccccc2n1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate?
The InChIKey is GAWJKVNYPFEFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-14(19)10-18(11(2)3)15-16-9-12-7-5-6-8-13(12)17-15/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate?
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate has a molecular weight of 273.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate is sourced from PubChem (CID 114789698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).