methyl 4-[methyl(quinazolin-2-yl)amino]butanoate

C14H17N3O2 — CID 114789702

IUPACmethyl 4-[methyl(quinazolin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-17(9-5-8-13(18)19-2)14-15-10-11-6-3-4-7-12(11)16-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyRUOQMMRRMPXWPX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds5

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

methyl 4-[methyl(quinazolin-2-yl)amino]butanoate (PubChem CID 114789702) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 4-[methyl(quinazolin-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(quinazolin-2-yl)amino]butanoate
PubChem CID114789702
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 4-[methyl(quinazolin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-17(9-5-8-13(18)19-2)14-15-10-11-6-3-4-7-12(11)16-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyRUOQMMRRMPXWPX-UHFFFAOYSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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 4-[methyl(quinazolin-2-yl)amino]butanoate 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

methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
methyl 4-[2,1-benzothiazol-3-yl(methyl)amino]butanoate
CID 66354680
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
N-methyl-N-prop-1-en-2-ylquinazolin-2-amine
CID 157035873
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(quinazolin-2-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(quinazolin-2-yl)amino]butanoate (CID 114789702) is methyl 4-[methyl(quinazolin-2-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(quinazolin-2-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(quinazolin-2-yl)amino]butanoate is COC(=O)CCCN(C)c1ncc2ccccc2n1.
What is the InChIKey of methyl 4-[methyl(quinazolin-2-yl)amino]butanoate?
The InChIKey is RUOQMMRRMPXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(9-5-8-13(18)19-2)14-15-10-11-6-3-4-7-12(11)16-14/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of methyl 4-[methyl(quinazolin-2-yl)amino]butanoate?
methyl 4-[methyl(quinazolin-2-yl)amino]butanoate has a molecular weight of 259.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(quinazolin-2-yl)amino]butanoate is sourced from PubChem (CID 114789702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).