3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline

Name: 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁ClN₂ — CID 115419533

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline

SMILESCC1Cc2cc(Cl)nnc2-c2ccccc21

InChIInChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3

InChIKeyMPPROGGLZYUJRS-UHFFFAOYSA-N

MW230.70 g/mol

LogP3.46

Rot. Bonds

About 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline

3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline (PubChem CID 115419533) has the molecular formula C₁₃H₁₁ClN₂ and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline.

Molecular Properties

Compound Name	3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
PubChem CID	115419533
Molecular Formula	C₁₃H₁₁ClN₂
Molecular Weight	230.70 g/mol
Exact Mass	230.06
IUPAC Name	3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
SMILES	CC1Cc2cc(Cl)nnc2-c2ccccc21
InChI	InChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3
InChIKey	MPPROGGLZYUJRS-UHFFFAOYSA-N
XLogP	3.46
TPSA	25.78 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.70
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?

The IUPAC name of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline (CID 115419533) is 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline.

What is the SMILES notation for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?

The canonical SMILES for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline is CC1Cc2cc(Cl)nnc2-c2ccccc21.

What is the InChIKey of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?

The InChIKey is MPPROGGLZYUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-8-6-9-7-12(14)15-16-13(9)11-5-3-2-4-10(8)11/h2-5,7-8H,6H2,1H3.

What are the key properties of 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline?

3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline has a molecular weight of 230.70 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline is sourced from PubChem (CID 115419533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115419533 — identifiers, structure, computed properties (public domain)

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