chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline

C25H25Cl2N3 — CID 141231751

About chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline

chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141231751) has the molecular formula C25H25Cl2N3 and a molecular weight of 438.40 g/mol. Its IUPAC name is chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 141231751
• Molecular Formula: C25H25Cl2N3
• Molecular Weight: 438.40 g/mol
• Exact Mass: 437.14
• IUPAC Name: chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline
• SMILES: CCl.Cc1cc2c(N3CCc4ccccc4C3)nccc2n1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H22ClN3.CH3Cl/c1-17-14-22-23(28(17)15-18-6-8-21(25)9-7-18)10-12-26-24(22)27-13-11-19-4-2-3-5-20(19)16-27;1-2/h2-10,12,14H,11,13,15-16H2,1H3;1H3
• InChIKey: SPOGZKQGDYZDEU-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.40
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 141231751) is chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline is CCl.Cc1cc2c(N3CCc4ccccc4C3)nccc2n1Cc1ccc(Cl)cc1.

What is the InChIKey of chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is SPOGZKQGDYZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3.CH3Cl/c1-17-14-22-23(28(17)15-18-6-8-21(25)9-7-18)10-12-26-24(22)27-13-11-19-4-2-3-5-20(19)16-27;1-2/h2-10,12,14H,11,13,15-16H2,1H3;1H3.

What are the key properties of chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline?

chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 438.40 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;2-[1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-c]pyridin-4-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141231751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).