ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate

C14H15N3O2 — CID 4313811

IUPACethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate
SMILESC=CCNc1nc(C(=O)OCC)nc2ccccc12
InChIInChI=1S/C14H15N3O2/c1-3-9-15-12-10-7-5-6-8-11(10)16-13(17-12)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3,(H,15,16,17)
InChIKeySRLUATGKZXTFRE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.40
Rot. Bonds5

About ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate

ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate (PubChem CID 4313811) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate
PubChem CID4313811
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate
SMILESC=CCNc1nc(C(=O)OCC)nc2ccccc12
InChIInChI=1S/C14H15N3O2/c1-3-9-15-12-10-7-5-6-8-11(10)16-13(17-12)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3,(H,15,16,17)
InChIKeySRLUATGKZXTFRE-UHFFFAOYSA-N
XLogP2.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate (CID 4313811) is ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate is C=CCNc1nc(C(=O)OCC)nc2ccccc12.
What is the InChIKey of ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate?
The InChIKey is SRLUATGKZXTFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-9-15-12-10-7-5-6-8-11(10)16-13(17-12)14(18)19-4-2/h3,5-8H,1,4,9H2,2H3,(H,15,16,17).
What are the key properties of ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate?
ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(prop-2-enylamino)quinazoline-2-carboxylate is sourced from PubChem (CID 4313811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).