ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate

C15H19N3O2 — CID 133363416

IUPACethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2cccc(C)c12
InChIInChI=1S/C15H19N3O2/c1-4-20-13(19)8-11(3)18-15-14-10(2)6-5-7-12(14)16-9-17-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyUDVPZSWQDMQNRV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds5

About ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate

ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate (PubChem CID 133363416) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
PubChem CID133363416
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)Nc1ncnc2cccc(C)c12
InChIInChI=1S/C15H19N3O2/c1-4-20-13(19)8-11(3)18-15-14-10(2)6-5-7-12(14)16-9-17-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyUDVPZSWQDMQNRV-UHFFFAOYSA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 68603545
5-methyl-N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386780
3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
CID 133397480
N-(1-cyclobutylethyl)-5-methylquinazolin-4-amine
CID 133417844
2-methoxy-N-(5-methylquinazolin-4-yl)propane-1-sulfonamide
CID 154769119
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
ethyl 4-[(6-fluoroquinazolin-4-yl)amino]pentanoate
CID 133407132
ethyl (3R)-3-(3-bromoanilino)butanoate
CID 101375260
ethyl 3-(3-bromo-2-methylanilino)butanoate
CID 107633896
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
ethyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)pentanoate
CID 133407095

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate?
The IUPAC name of ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate (CID 133363416) is ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate is CCOC(=O)CC(C)Nc1ncnc2cccc(C)c12.
What is the InChIKey of ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate?
The InChIKey is UDVPZSWQDMQNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-13(19)8-11(3)18-15-14-10(2)6-5-7-12(14)16-9-17-15/h5-7,9,11H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate?
ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate has a molecular weight of 273.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate is sourced from PubChem (CID 133363416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).