6-(2-methylpropyl)-6,7-dihydrocinnoline

C12H16N2 — CID 137396266

IUPAC6-(2-methylpropyl)-6,7-dihydrocinnoline
SMILESCC(C)CC1C=c2ccnnc2=CC1
InChIInChI=1S/C12H16N2/c1-9(2)7-10-3-4-12-11(8-10)5-6-13-14-12/h4-6,8-10H,3,7H2,1-2H3
InChIKeyVHJNBTSTCVKWIJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.10
Rot. Bonds2

About 6-(2-methylpropyl)-6,7-dihydrocinnoline

6-(2-methylpropyl)-6,7-dihydrocinnoline (PubChem CID 137396266) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(2-methylpropyl)-6,7-dihydrocinnoline.

Molecular Properties

Compound Name6-(2-methylpropyl)-6,7-dihydrocinnoline
PubChem CID137396266
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(2-methylpropyl)-6,7-dihydrocinnoline
SMILESCC(C)CC1C=c2ccnnc2=CC1
InChIInChI=1S/C12H16N2/c1-9(2)7-10-3-4-12-11(8-10)5-6-13-14-12/h4-6,8-10H,3,7H2,1-2H3
InChIKeyVHJNBTSTCVKWIJ-UHFFFAOYSA-N
XLogP1.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-6,7-dihydrocinnoline?
The IUPAC name of 6-(2-methylpropyl)-6,7-dihydrocinnoline (CID 137396266) is 6-(2-methylpropyl)-6,7-dihydrocinnoline.
What is the SMILES notation for 6-(2-methylpropyl)-6,7-dihydrocinnoline?
The canonical SMILES for 6-(2-methylpropyl)-6,7-dihydrocinnoline is CC(C)CC1C=c2ccnnc2=CC1.
What is the InChIKey of 6-(2-methylpropyl)-6,7-dihydrocinnoline?
The InChIKey is VHJNBTSTCVKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)7-10-3-4-12-11(8-10)5-6-13-14-12/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-6,7-dihydrocinnoline?
6-(2-methylpropyl)-6,7-dihydrocinnoline has a molecular weight of 188.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-6,7-dihydrocinnoline is sourced from PubChem (CID 137396266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).