7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one

C14H13ClN2O — CID 14171577

IUPAC7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one
SMILESCCCn1c2cc(Cl)ccc2c(=O)c2cccn21
InChIInChI=1S/C14H13ClN2O/c1-2-7-16-13-9-10(15)5-6-11(13)14(18)12-4-3-8-17(12)16/h3-6,8-9H,2,7H2,1H3
InChIKeyBSRKZWOUOKMTCY-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.32
Rot. Bonds2

About 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one

7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one (PubChem CID 14171577) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one.

Molecular Properties

Compound Name7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one
PubChem CID14171577
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one
SMILESCCCn1c2cc(Cl)ccc2c(=O)c2cccn21
InChIInChI=1S/C14H13ClN2O/c1-2-7-16-13-9-10(15)5-6-11(13)14(18)12-4-3-8-17(12)16/h3-6,8-9H,2,7H2,1H3
InChIKeyBSRKZWOUOKMTCY-UHFFFAOYSA-N
XLogP3.32
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one?
The IUPAC name of 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one (CID 14171577) is 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one.
What is the SMILES notation for 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one?
The canonical SMILES for 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one is CCCn1c2cc(Cl)ccc2c(=O)c2cccn21.
What is the InChIKey of 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one?
The InChIKey is BSRKZWOUOKMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-7-16-13-9-10(15)5-6-11(13)14(18)12-4-3-8-17(12)16/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one?
7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one has a molecular weight of 260.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-propylpyrrolo[1,2-b]cinnolin-10-one is sourced from PubChem (CID 14171577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).