ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate

C19H19N3O4 — CID 1192543

IUPACethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cc(OC)ccc2OC)c2ccccc2n1
InChIInChI=1S/C19H19N3O4/c1-4-26-19(23)18-20-14-8-6-5-7-13(14)17(22-18)21-15-11-12(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyJUMBNDWBTNHIOC-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.57
Rot. Bonds6

About ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate

ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate (PubChem CID 1192543) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
PubChem CID1192543
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2cc(OC)ccc2OC)c2ccccc2n1
InChIInChI=1S/C19H19N3O4/c1-4-26-19(23)18-20-14-8-6-5-7-13(14)17(22-18)21-15-11-12(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22)
InChIKeyJUMBNDWBTNHIOC-UHFFFAOYSA-N
XLogP3.57
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(4-chloro-2-methoxy-5-methylanilino)quinazoline-2-carboxylate
CID 20965956
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192536
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
ethyl 4-(2-hydroxy-5-nitroanilino)quinazoline-2-carboxylate
CID 3859104
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
methyl 4-(2,5-dimethylanilino)quinazoline-2-carboxylate
CID 139207868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate (CID 1192543) is ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate is CCOC(=O)c1nc(Nc2cc(OC)ccc2OC)c2ccccc2n1.
What is the InChIKey of ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate?
The InChIKey is JUMBNDWBTNHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-4-26-19(23)18-20-14-8-6-5-7-13(14)17(22-18)21-15-11-12(24-2)9-10-16(15)25-3/h5-11H,4H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate?
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 1192543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).