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

C14H17N3O2 — CID 62006483

IUPACmethyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
SMILESCOC(=O)CN(c1ncnc2ccccc12)C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17(8-13(18)19-3)14-11-6-4-5-7-12(11)15-9-16-14/h4-7,9-10H,8H2,1-3H3
InChIKeyGWOCIPUDBNHDAC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds4

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

methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate (PubChem CID 62006483) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
PubChem CID62006483
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
SMILESCOC(=O)CN(c1ncnc2ccccc12)C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17(8-13(18)19-3)14-11-6-4-5-7-12(11)15-9-16-14/h4-7,9-10H,8H2,1-3H3
InChIKeyGWOCIPUDBNHDAC-UHFFFAOYSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[propan-2-yl(quinazolin-4-yl)amino]propanoic acid
CID 60895280
1,3-di(propan-2-yl)-1-quinazolin-4-ylurea
CID 122214994
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
CID 80674456
methyl 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
CID 62956789
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
CID 174779366
methyl 2-[(2-oxo-1H-pyrazin-3-yl)-propan-2-ylamino]acetate
CID 114571206
methyl 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl-propan-2-ylamino]acetate
CID 62026649

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate (CID 62006483) is methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate is COC(=O)CN(c1ncnc2ccccc12)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate?
The InChIKey is GWOCIPUDBNHDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)17(8-13(18)19-3)14-11-6-4-5-7-12(11)15-9-16-14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate?
methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate has a molecular weight of 259.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate is sourced from PubChem (CID 62006483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).