7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline

C12H9ClN2 — CID 136921468

IUPAC7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
SMILESCc1cc(Cl)[nH]c2ccc3nccc3c12
InChIInChI=1S/C12H9ClN2/c1-7-6-11(13)15-10-3-2-9-8(12(7)10)4-5-14-9/h2-6,15H,1H3
InChIKeyNOMYOLCEGDDVIT-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.68
Rot. Bonds

About 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline

7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline (PubChem CID 136921468) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
PubChem CID136921468
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
SMILESCc1cc(Cl)[nH]c2ccc3nccc3c12
InChIInChI=1S/C12H9ClN2/c1-7-6-11(13)15-10-3-2-9-8(12(7)10)4-5-14-9/h2-6,15H,1H3
InChIKeyNOMYOLCEGDDVIT-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline?
The IUPAC name of 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline (CID 136921468) is 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline.
What is the SMILES notation for 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline?
The canonical SMILES for 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline is Cc1cc(Cl)[nH]c2ccc3nccc3c12.
What is the InChIKey of 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline?
The InChIKey is NOMYOLCEGDDVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-7-6-11(13)15-10-3-2-9-8(12(7)10)4-5-14-9/h2-6,15H,1H3.
What are the key properties of 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline?
7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline has a molecular weight of 216.67 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline is sourced from PubChem (CID 136921468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).