ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate

C16H21N3O2 — CID 133465027

IUPACethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)c1ncnc2c(C)cccc12
InChIInChI=1S/C16H21N3O2/c1-5-21-14(20)9-12(3)19(4)16-13-8-6-7-11(2)15(13)17-10-18-16/h6-8,10,12H,5,9H2,1-4H3
InChIKeySPLBOQCRXLEBKZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds5

About ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate

ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate (PubChem CID 133465027) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate
PubChem CID133465027
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)c1ncnc2c(C)cccc12
InChIInChI=1S/C16H21N3O2/c1-5-21-14(20)9-12(3)19(4)16-13-8-6-7-11(2)15(13)17-10-18-16/h6-8,10,12H,5,9H2,1-4H3
InChIKeySPLBOQCRXLEBKZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
CID 133407061
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
8-methylquinazoline-4-carboxylic acid
CID 124706584
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
propan-2-yl 4-[(8-methylquinazolin-4-yl)amino]butanoate
CID 133473380
ethyl 3-[(5-methylquinazolin-4-yl)amino]butanoate
CID 133363416
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
ethyl 3-(dimethylamino)butanoate
CID 3020377
3-[(8-fluoroquinazolin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064764
ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
CID 55726466
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate?
The IUPAC name of ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate (CID 133465027) is ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate is CCOC(=O)CC(C)N(C)c1ncnc2c(C)cccc12.
What is the InChIKey of ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate?
The InChIKey is SPLBOQCRXLEBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-21-14(20)9-12(3)19(4)16-13-8-6-7-11(2)15(13)17-10-18-16/h6-8,10,12H,5,9H2,1-4H3.
What are the key properties of ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate?
ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate has a molecular weight of 287.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(8-methylquinazolin-4-yl)amino]butanoate is sourced from PubChem (CID 133465027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).