4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline

C19H17ClN2 — CID 15749819

IUPAC4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1ccccc1N1CCc2c(Cl)nc3c(C)cccc3c21
InChIInChI=1S/C19H17ClN2/c1-12-6-3-4-9-16(12)22-11-10-15-18(22)14-8-5-7-13(2)17(14)21-19(15)20/h3-9H,10-11H2,1-2H3
InChIKeyUMSFRNYBNXEUCY-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.20
Rot. Bonds1

About 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline

4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 15749819) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID15749819
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1ccccc1N1CCc2c(Cl)nc3c(C)cccc3c21
InChIInChI=1S/C19H17ClN2/c1-12-6-3-4-9-16(12)22-11-10-15-18(22)14-8-5-7-13(2)17(14)21-19(15)20/h3-9H,10-11H2,1-2H3
InChIKeyUMSFRNYBNXEUCY-UHFFFAOYSA-N
XLogP5.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline (CID 15749819) is 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline is Cc1ccccc1N1CCc2c(Cl)nc3c(C)cccc3c21.
What is the InChIKey of 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is UMSFRNYBNXEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c1-12-6-3-4-9-16(12)22-11-10-15-18(22)14-8-5-7-13(2)17(14)21-19(15)20/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline?
4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 308.81 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 15749819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).