2H-benzo[b]quinolizine

C13H11N — CID 154105828

IUPAC2H-benzo[b]quinolizine
SMILESC1=CN2C=c3ccccc3=CC2=CC1
InChIInChI=1S/C13H11N/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,4-10H,3H2
InChIKeyBZKZACBMNQLQID-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.32
Rot. Bonds

About 2H-benzo[b]quinolizine

2H-benzo[b]quinolizine (PubChem CID 154105828) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 2H-benzo[b]quinolizine.

Molecular Properties

Compound Name2H-benzo[b]quinolizine
PubChem CID154105828
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name2H-benzo[b]quinolizine
SMILESC1=CN2C=c3ccccc3=CC2=CC1
InChIInChI=1S/C13H11N/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,4-10H,3H2
InChIKeyBZKZACBMNQLQID-UHFFFAOYSA-N
XLogP1.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-pyrazino[1,2-b]isoquinoline
CID 118184969
3H-[1,3]thiazolo[3,4-b]isoquinoline;hydrochloride
CID 172764105
1H-isoquinolino[2,1-b]isoquinoline
CID 19964382
7-[2-(5-chloro-2,4-difluorophenyl)-3-methylphenyl]-8-methyl-2H-quinolizine
CID 123327159
5-methyl-8H-benzo[7]annulene
CID 142246381
2,3,4,7-tetrahydro-1H-pyrido[2,1-b]quinazoline
CID 176507225
2,3-dihydronaphthalene;methane
CID 142417654
6,7-dimethyl-8H-benzo[7]annulene
CID 142504411
ethane;3-methylidene-2H-naphthalene
CID 144558774
3-phenyl-2,6-dihydro-1H-indole
CID 174710254
1-phenyl-7H-quinoline
CID 174273205
7-bromo-4-phenyl-2H-quinolizine
CID 123201515

Frequently Asked Questions

What is the IUPAC name of 2H-benzo[b]quinolizine?
The IUPAC name of 2H-benzo[b]quinolizine (CID 154105828) is 2H-benzo[b]quinolizine.
What is the SMILES notation for 2H-benzo[b]quinolizine?
The canonical SMILES for 2H-benzo[b]quinolizine is C1=CN2C=c3ccccc3=CC2=CC1.
What is the InChIKey of 2H-benzo[b]quinolizine?
The InChIKey is BZKZACBMNQLQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,4-10H,3H2.
What are the key properties of 2H-benzo[b]quinolizine?
2H-benzo[b]quinolizine has a molecular weight of 181.24 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[b]quinolizine is sourced from PubChem (CID 154105828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).