8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline

C13H16BrN — CID 84738520

IUPAC8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
SMILESBrc1cccc2c1N(CC1CC1)CCC2
InChIInChI=1S/C13H16BrN/c14-12-5-1-3-11-4-2-8-15(13(11)12)9-10-6-7-10/h1,3,5,10H,2,4,6-9H2
InChIKeyKWKPKKSERQAZQY-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.61
Rot. Bonds2

About 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline

8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 84738520) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID84738520
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
SMILESBrc1cccc2c1N(CC1CC1)CCC2
InChIInChI=1S/C13H16BrN/c14-12-5-1-3-11-4-2-8-15(13(11)12)9-10-6-7-10/h1,3,5,10H,2,4,6-9H2
InChIKeyKWKPKKSERQAZQY-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline (CID 84738520) is 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline is Brc1cccc2c1N(CC1CC1)CCC2.
What is the InChIKey of 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is KWKPKKSERQAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-12-5-1-3-11-4-2-8-15(13(11)12)9-10-6-7-10/h1,3,5,10H,2,4,6-9H2.
What are the key properties of 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline?
8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 266.18 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 84738520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).