7-bromo-2-(cyclopropylmethyl)quinolin-3-ol

C13H12BrNO — CID 165464741

IUPAC7-bromo-2-(cyclopropylmethyl)quinolin-3-ol
SMILESOc1cc2ccc(Br)cc2nc1CC1CC1
InChIInChI=1S/C13H12BrNO/c14-10-4-3-9-6-13(16)12(5-8-1-2-8)15-11(9)7-10/h3-4,6-8,16H,1-2,5H2
InChIKeyKDAIWJUWPVPGCE-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.66
Rot. Bonds2

About 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol

7-bromo-2-(cyclopropylmethyl)quinolin-3-ol (PubChem CID 165464741) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol.

Molecular Properties

Compound Name7-bromo-2-(cyclopropylmethyl)quinolin-3-ol
PubChem CID165464741
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name7-bromo-2-(cyclopropylmethyl)quinolin-3-ol
SMILESOc1cc2ccc(Br)cc2nc1CC1CC1
InChIInChI=1S/C13H12BrNO/c14-10-4-3-9-6-13(16)12(5-8-1-2-8)15-11(9)7-10/h3-4,6-8,16H,1-2,5H2
InChIKeyKDAIWJUWPVPGCE-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol?
The IUPAC name of 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol (CID 165464741) is 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol.
What is the SMILES notation for 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol?
The canonical SMILES for 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol is Oc1cc2ccc(Br)cc2nc1CC1CC1.
What is the InChIKey of 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol?
The InChIKey is KDAIWJUWPVPGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-10-4-3-9-6-13(16)12(5-8-1-2-8)15-11(9)7-10/h3-4,6-8,16H,1-2,5H2.
What are the key properties of 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol?
7-bromo-2-(cyclopropylmethyl)quinolin-3-ol has a molecular weight of 278.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(cyclopropylmethyl)quinolin-3-ol is sourced from PubChem (CID 165464741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).