1,8-dimethyl-3,4-dihydro-2H-cinnoline

C10H14N2 — CID 66846857

IUPAC1,8-dimethyl-3,4-dihydro-2H-cinnoline
SMILESCc1cccc2c1N(C)NCC2
InChIInChI=1S/C10H14N2/c1-8-4-3-5-9-6-7-11-12(2)10(8)9/h3-5,11H,6-7H2,1-2H3
InChIKeyPMZRNJULKVVYAI-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.49
Rot. Bonds

About 1,8-dimethyl-3,4-dihydro-2H-cinnoline

1,8-dimethyl-3,4-dihydro-2H-cinnoline (PubChem CID 66846857) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,8-dimethyl-3,4-dihydro-2H-cinnoline.

Molecular Properties

Compound Name1,8-dimethyl-3,4-dihydro-2H-cinnoline
PubChem CID66846857
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,8-dimethyl-3,4-dihydro-2H-cinnoline
SMILESCc1cccc2c1N(C)NCC2
InChIInChI=1S/C10H14N2/c1-8-4-3-5-9-6-7-11-12(2)10(8)9/h3-5,11H,6-7H2,1-2H3
InChIKeyPMZRNJULKVVYAI-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-cinnoline?
The IUPAC name of 1,8-dimethyl-3,4-dihydro-2H-cinnoline (CID 66846857) is 1,8-dimethyl-3,4-dihydro-2H-cinnoline.
What is the SMILES notation for 1,8-dimethyl-3,4-dihydro-2H-cinnoline?
The canonical SMILES for 1,8-dimethyl-3,4-dihydro-2H-cinnoline is Cc1cccc2c1N(C)NCC2.
What is the InChIKey of 1,8-dimethyl-3,4-dihydro-2H-cinnoline?
The InChIKey is PMZRNJULKVVYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-4-3-5-9-6-7-11-12(2)10(8)9/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 1,8-dimethyl-3,4-dihydro-2H-cinnoline?
1,8-dimethyl-3,4-dihydro-2H-cinnoline has a molecular weight of 162.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3,4-dihydro-2H-cinnoline is sourced from PubChem (CID 66846857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).