ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate

C14H17N3O4 — CID 12628985

IUPACethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate
SMILESCCOC(=O)NC1=Nc2ccccc2CN1C(=O)OCC
InChIInChI=1S/C14H17N3O4/c1-3-20-13(18)16-12-15-11-8-6-5-7-10(11)9-17(12)14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16,18)
InChIKeyZHHBCFZHRZQWRI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.39
Rot. Bonds2

About ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate

ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate (PubChem CID 12628985) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate
PubChem CID12628985
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate
SMILESCCOC(=O)NC1=Nc2ccccc2CN1C(=O)OCC
InChIInChI=1S/C14H17N3O4/c1-3-20-13(18)16-12-15-11-8-6-5-7-10(11)9-17(12)14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16,18)
InChIKeyZHHBCFZHRZQWRI-UHFFFAOYSA-N
XLogP2.39
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate (CID 12628985) is ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate is CCOC(=O)NC1=Nc2ccccc2CN1C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate?
The InChIKey is ZHHBCFZHRZQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-20-13(18)16-12-15-11-8-6-5-7-10(11)9-17(12)14(19)21-4-2/h5-8H,3-4,9H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate?
ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)-4H-quinazoline-3-carboxylate is sourced from PubChem (CID 12628985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).