6-(1H-azirin-2-yl)quinoline

C11H8N2 — CID 146540612

IUPAC6-(1H-azirin-2-yl)quinoline
SMILESC1=C(c2ccc3ncccc3c2)N1
InChIInChI=1S/C11H8N2/c1-2-8-6-9(11-7-13-11)3-4-10(8)12-5-1/h1-7,13H
InChIKeyXSTFSLDXNCYRIA-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.14
Rot. Bonds1

About 6-(1H-azirin-2-yl)quinoline

6-(1H-azirin-2-yl)quinoline (PubChem CID 146540612) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(1H-azirin-2-yl)quinoline.

Molecular Properties

Compound Name6-(1H-azirin-2-yl)quinoline
PubChem CID146540612
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name6-(1H-azirin-2-yl)quinoline
SMILESC1=C(c2ccc3ncccc3c2)N1
InChIInChI=1S/C11H8N2/c1-2-8-6-9(11-7-13-11)3-4-10(8)12-5-1/h1-7,13H
InChIKeyXSTFSLDXNCYRIA-UHFFFAOYSA-N
XLogP2.14
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-7-quinolin-6-ylquinoline
CID 176598696
6-(3-methylphenyl)quinoline
CID 4185278
6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
6-[4-(bromomethyl)pyrimidin-2-yl]quinoline
CID 114205846
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
CID 87967042
CID 87967042
6-methylquinoline
CID 7059

Frequently Asked Questions

What is the IUPAC name of 6-(1H-azirin-2-yl)quinoline?
The IUPAC name of 6-(1H-azirin-2-yl)quinoline (CID 146540612) is 6-(1H-azirin-2-yl)quinoline.
What is the SMILES notation for 6-(1H-azirin-2-yl)quinoline?
The canonical SMILES for 6-(1H-azirin-2-yl)quinoline is C1=C(c2ccc3ncccc3c2)N1.
What is the InChIKey of 6-(1H-azirin-2-yl)quinoline?
The InChIKey is XSTFSLDXNCYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-8-6-9(11-7-13-11)3-4-10(8)12-5-1/h1-7,13H.
What are the key properties of 6-(1H-azirin-2-yl)quinoline?
6-(1H-azirin-2-yl)quinoline has a molecular weight of 168.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-azirin-2-yl)quinoline is sourced from PubChem (CID 146540612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).