3-phenyl-5,6,7,8-tetrahydrocinnoline

C14H14N2 — CID 15275303

IUPAC3-phenyl-5,6,7,8-tetrahydrocinnoline
SMILESc1ccc(-c2cc3c(nn2)CCCC3)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyFNALOOIRINIGCA-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.02
Rot. Bonds1

About 3-phenyl-5,6,7,8-tetrahydrocinnoline

3-phenyl-5,6,7,8-tetrahydrocinnoline (PubChem CID 15275303) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-phenyl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-phenyl-5,6,7,8-tetrahydrocinnoline
PubChem CID15275303
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-phenyl-5,6,7,8-tetrahydrocinnoline
SMILESc1ccc(-c2cc3c(nn2)CCCC3)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16-14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyFNALOOIRINIGCA-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-phenyl-5,6,7,8-tetrahydrocinnoline (CID 15275303) is 3-phenyl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-phenyl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-phenyl-5,6,7,8-tetrahydrocinnoline is c1ccc(-c2cc3c(nn2)CCCC3)cc1.
What is the InChIKey of 3-phenyl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is FNALOOIRINIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-16-14/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 3-phenyl-5,6,7,8-tetrahydrocinnoline?
3-phenyl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 210.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 15275303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).