ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate

C19H17N3O4 — CID 1192536

IUPACethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(C(=O)OC)cc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyQWNYUHJSHAJBMS-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.34
Rot. Bonds5

About ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate

ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate (PubChem CID 1192536) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
PubChem CID1192536
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccc(C(=O)OC)cc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyQWNYUHJSHAJBMS-UHFFFAOYSA-N
XLogP3.34
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
ethyl 4-(3,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 6615329
ethyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 23935083
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
methyl 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzoate
CID 1187533
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
ethyl 4-(4-chloro-2-methoxy-5-methylanilino)quinazoline-2-carboxylate
CID 20965956
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate (CID 1192536) is ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate is CCOC(=O)c1nc(Nc2ccc(C(=O)OC)cc2)c2ccccc2n1.
What is the InChIKey of ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate?
The InChIKey is QWNYUHJSHAJBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-3-26-19(24)17-21-15-7-5-4-6-14(15)16(22-17)20-13-10-8-12(9-11-13)18(23)25-2/h4-11H,3H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate?
ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxycarbonylanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 1192536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).