4-chloro-6-pyrrol-1-ylquinazoline

C12H8ClN3 — CID 174327354

IUPAC4-chloro-6-pyrrol-1-ylquinazoline
SMILESClc1ncnc2ccc(-n3cccc3)cc12
InChIInChI=1S/C12H8ClN3/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h1-8H
InChIKeyUUYIUSFFGQIJSI-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.07
Rot. Bonds1

About 4-chloro-6-pyrrol-1-ylquinazoline

4-chloro-6-pyrrol-1-ylquinazoline (PubChem CID 174327354) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-6-pyrrol-1-ylquinazoline.

Molecular Properties

Compound Name4-chloro-6-pyrrol-1-ylquinazoline
PubChem CID174327354
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name4-chloro-6-pyrrol-1-ylquinazoline
SMILESClc1ncnc2ccc(-n3cccc3)cc12
InChIInChI=1S/C12H8ClN3/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h1-8H
InChIKeyUUYIUSFFGQIJSI-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrol-1-ylquinazoline?
The IUPAC name of 4-chloro-6-pyrrol-1-ylquinazoline (CID 174327354) is 4-chloro-6-pyrrol-1-ylquinazoline.
What is the SMILES notation for 4-chloro-6-pyrrol-1-ylquinazoline?
The canonical SMILES for 4-chloro-6-pyrrol-1-ylquinazoline is Clc1ncnc2ccc(-n3cccc3)cc12.
What is the InChIKey of 4-chloro-6-pyrrol-1-ylquinazoline?
The InChIKey is UUYIUSFFGQIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h1-8H.
What are the key properties of 4-chloro-6-pyrrol-1-ylquinazoline?
4-chloro-6-pyrrol-1-ylquinazoline has a molecular weight of 229.67 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrol-1-ylquinazoline is sourced from PubChem (CID 174327354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).