1H-benzo[i]quinoline

C13H11N — CID 131983586

IUPAC1H-benzo[i]quinoline
SMILESC1=CNC23C=CC=CC2=CC=CC3=C1
InChIInChI=1S/C13H11N/c1-2-9-13-11(5-1)6-3-7-12(13)8-4-10-14-13/h1-10,14H
InChIKeyBJICZKZKKDUALH-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.39
Rot. Bonds

About 1H-benzo[i]quinoline

1H-benzo[i]quinoline (PubChem CID 131983586) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 1H-benzo[i]quinoline.

Molecular Properties

Compound Name1H-benzo[i]quinoline
PubChem CID131983586
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name1H-benzo[i]quinoline
SMILESC1=CNC23C=CC=CC2=CC=CC3=C1
InChIInChI=1S/C13H11N/c1-2-9-13-11(5-1)6-3-7-12(13)8-4-10-14-13/h1-10,14H
InChIKeyBJICZKZKKDUALH-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethylisoquinoline
CID 129780060
10-fluoro-1H-benzo[i]quinoline
CID 87634100
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
3,3-Diethylisoquinoline
CID 164890311
1,8a-Dihydroquinoline
CID 15706945
Quinoline, 1,5,8,8a-tetrahydro-
CID 18504448
1,4,4a,8a-Tetrahydroquinoline
CID 18696596
2,7-dihydro-1H-benzo[de]isoquinoline
CID 20199014
2-ethyl-2-methyl-1H-pyridine
CID 21692179
1,2,10,10a-Tetrahydroacridine
CID 22397680
2-ethyl-2,5-dimethyl-1H-pyridine
CID 23162595
(8aR)-1,8a-dihydroquinoline
CID 23591428

Frequently Asked Questions

What is the IUPAC name of 1H-benzo[i]quinoline?
The IUPAC name of 1H-benzo[i]quinoline (CID 131983586) is 1H-benzo[i]quinoline.
What is the SMILES notation for 1H-benzo[i]quinoline?
The canonical SMILES for 1H-benzo[i]quinoline is C1=CNC23C=CC=CC2=CC=CC3=C1.
What is the InChIKey of 1H-benzo[i]quinoline?
The InChIKey is BJICZKZKKDUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-9-13-11(5-1)6-3-7-12(13)8-4-10-14-13/h1-10,14H.
What are the key properties of 1H-benzo[i]quinoline?
1H-benzo[i]quinoline has a molecular weight of 181.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[i]quinoline is sourced from PubChem (CID 131983586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).