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

C19H19N3O2 — CID 731974

IUPACethyl 4-(2-ethylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccccc2CC)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-3-13-9-5-7-11-15(13)20-17-14-10-6-8-12-16(14)21-18(22-17)19(23)24-4-2/h5-12H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyPOELJDNKRGMHKU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.11
Rot. Bonds5

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

ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate (PubChem CID 731974) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethylanilino)quinazoline-2-carboxylate
PubChem CID731974
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 4-(2-ethylanilino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccccc2CC)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-3-13-9-5-7-11-15(13)20-17-14-10-6-8-12-16(14)21-18(22-17)19(23)24-4-2/h5-12H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyPOELJDNKRGMHKU-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate (CID 731974) is ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate is CCOC(=O)c1nc(Nc2ccccc2CC)c2ccccc2n1.
What is the InChIKey of ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate?
The InChIKey is POELJDNKRGMHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-13-9-5-7-11-15(13)20-17-14-10-6-8-12-16(14)21-18(22-17)19(23)24-4-2/h5-12H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate?
ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylanilino)quinazoline-2-carboxylate is sourced from PubChem (CID 731974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).