4-bromo-7-propoxyquinoline

C12H12BrNO — CID 119087802

IUPAC4-bromo-7-propoxyquinoline
SMILESCCCOc1ccc2c(Br)ccnc2c1
InChIInChI=1S/C12H12BrNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h3-6,8H,2,7H2,1H3
InChIKeyQRSJPKOOIFBKLL-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-7-propoxyquinoline

4-bromo-7-propoxyquinoline (PubChem CID 119087802) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-7-propoxyquinoline.

Molecular Properties

Compound Name4-bromo-7-propoxyquinoline
PubChem CID119087802
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name4-bromo-7-propoxyquinoline
SMILESCCCOc1ccc2c(Br)ccnc2c1
InChIInChI=1S/C12H12BrNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h3-6,8H,2,7H2,1H3
InChIKeyQRSJPKOOIFBKLL-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-7-ethoxyquinoline
CID 119087799
4-chloro-7-hexoxyquinoline
CID 78323998
7-hexoxy-4-(7-hexoxyquinolin-4-yl)sulfanylquinoline
CID 139772929
5-propoxy-2,1,3-benzoxadiazole
CID 142905316
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
6-butoxyquinoline-4-carbaldehyde
CID 178020180
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
4-bromo-6-ethoxy-7-fluoroquinoline
CID 114764168
2-bromo-4-propoxybenzonitrile
CID 104573953
1-bromo-2-(difluoromethyl)-4-propoxybenzene
CID 154815131
3-methyl-7-propoxyquinoline
CID 68611316
N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
CID 78324298

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-propoxyquinoline?
The IUPAC name of 4-bromo-7-propoxyquinoline (CID 119087802) is 4-bromo-7-propoxyquinoline.
What is the SMILES notation for 4-bromo-7-propoxyquinoline?
The canonical SMILES for 4-bromo-7-propoxyquinoline is CCCOc1ccc2c(Br)ccnc2c1.
What is the InChIKey of 4-bromo-7-propoxyquinoline?
The InChIKey is QRSJPKOOIFBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-2-7-15-9-3-4-10-11(13)5-6-14-12(10)8-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-bromo-7-propoxyquinoline?
4-bromo-7-propoxyquinoline has a molecular weight of 266.14 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-propoxyquinoline is sourced from PubChem (CID 119087802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).