methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate

C15H19N3O3 — CID 23255841

IUPACmethyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccccc2c(=O)n1NC(C)(C)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-5-12-16-11-9-7-6-8-10(11)13(19)18(12)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3
InChIKeyQFZPOZOJGZKXRM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.45
Rot. Bonds4

About methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate

methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate (PubChem CID 23255841) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
PubChem CID23255841
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate
SMILESCCc1nc2ccccc2c(=O)n1NC(C)(C)C(=O)OC
InChIInChI=1S/C15H19N3O3/c1-5-12-16-11-9-7-6-8-10(11)13(19)18(12)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3
InChIKeyQFZPOZOJGZKXRM-UHFFFAOYSA-N
XLogP1.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

2-ethyl-3-[(2-methylpropan-2-yl)oxyamino]quinazolin-4-one
CID 10659082
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
methyl (2R)-2-[[2-[(1S)-1-hydroxyethyl]-4-oxoquinazolin-3-yl]amino]-2-phenylpropanoate
CID 23255846
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
CID 79629566
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2,2,2-trichloro-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
CID 1386332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate (CID 23255841) is methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate is CCc1nc2ccccc2c(=O)n1NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate?
The InChIKey is QFZPOZOJGZKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-12-16-11-9-7-6-8-10(11)13(19)18(12)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate has a molecular weight of 289.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-4-oxoquinazolin-3-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 23255841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).