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

C14H11BrN2O2 — CID 22756358

IUPACethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2c3cc(Br)ccc3ncn2c1
InChIInChI=1S/C14H11BrN2O2/c1-2-19-14(18)9-5-13-11-6-10(15)3-4-12(11)16-8-17(13)7-9/h3-8H,2H2,1H3
InChIKeyAQXSJVNSMNFDAK-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.43
Rot. Bonds2

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

ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate (PubChem CID 22756358) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate
PubChem CID22756358
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Nameethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2c3cc(Br)ccc3ncn2c1
InChIInChI=1S/C14H11BrN2O2/c1-2-19-14(18)9-5-13-11-6-10(15)3-4-12(11)16-8-17(13)7-9/h3-8H,2H2,1H3
InChIKeyAQXSJVNSMNFDAK-UHFFFAOYSA-N
XLogP3.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate?
The IUPAC name of ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate (CID 22756358) is ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate is CCOC(=O)c1cc2c3cc(Br)ccc3ncn2c1.
What is the InChIKey of ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate?
The InChIKey is AQXSJVNSMNFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-2-19-14(18)9-5-13-11-6-10(15)3-4-12(11)16-8-17(13)7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate?
ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate has a molecular weight of 319.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-bromopyrrolo[1,2-c]quinazoline-2-carboxylate is sourced from PubChem (CID 22756358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).