methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate

C15H20N4O2 — CID 62028118

IUPACmethyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C15H20N4O2/c1-3-19(9-8-14(20)21-2)10-13-17-12-7-5-4-6-11(12)15(16)18-13/h4-7H,3,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyQHOPUNNFMUYSFJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.60
Rot. Bonds6

About methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate

methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate (PubChem CID 62028118) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
PubChem CID62028118
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C15H20N4O2/c1-3-19(9-8-14(20)21-2)10-13-17-12-7-5-4-6-11(12)15(16)18-13/h4-7H,3,8-10H2,1-2H3,(H2,16,17,18)
InChIKeyQHOPUNNFMUYSFJ-UHFFFAOYSA-N
XLogP1.60
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate (CID 62028118) is methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate is CCN(CCC(=O)OC)Cc1nc(N)c2ccccc2n1.
What is the InChIKey of methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate?
The InChIKey is QHOPUNNFMUYSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19(9-8-14(20)21-2)10-13-17-12-7-5-4-6-11(12)15(16)18-13/h4-7H,3,8-10H2,1-2H3,(H2,16,17,18).
What are the key properties of methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate?
methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate has a molecular weight of 288.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate is sourced from PubChem (CID 62028118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).