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

C20H19N3O4 — CID 1192535

IUPACethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeySJNMMVLVXJMMGZ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.73
Rot. Bonds6

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

ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate (PubChem CID 1192535) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate
PubChem CID1192535
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)
InChIKeySJNMMVLVXJMMGZ-UHFFFAOYSA-N
XLogP3.73
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate (CID 1192535) is ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate is CCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1.
What is the InChIKey of ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate?
The InChIKey is SJNMMVLVXJMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-26-19(24)13-9-11-14(12-10-13)21-17-15-7-5-6-8-16(15)22-18(23-17)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate?
ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxycarbonylanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 1192535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).