ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate

C15H11N3O2 — CID 22756344

IUPACethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2c3cc(C#N)ccc3ncn2c1
InChIInChI=1S/C15H11N3O2/c1-2-20-15(19)11-6-14-12-5-10(7-16)3-4-13(12)17-9-18(14)8-11/h3-6,8-9H,2H2,1H3
InChIKeyBZEGYTMGKTUNEP-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.54
Rot. Bonds2

About ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate

ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate (PubChem CID 22756344) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate
PubChem CID22756344
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Nameethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2c3cc(C#N)ccc3ncn2c1
InChIInChI=1S/C15H11N3O2/c1-2-20-15(19)11-6-14-12-5-10(7-16)3-4-13(12)17-9-18(14)8-11/h3-6,8-9H,2H2,1H3
InChIKeyBZEGYTMGKTUNEP-UHFFFAOYSA-N
XLogP2.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate?
The IUPAC name of ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate (CID 22756344) is ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate is CCOC(=O)c1cc2c3cc(C#N)ccc3ncn2c1.
What is the InChIKey of ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate?
The InChIKey is BZEGYTMGKTUNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-20-15(19)11-6-14-12-5-10(7-16)3-4-13(12)17-9-18(14)8-11/h3-6,8-9H,2H2,1H3.
What are the key properties of ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate?
ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-cyanopyrrolo[1,2-c]quinazoline-2-carboxylate is sourced from PubChem (CID 22756344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).