3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol

C16H24BrNO — CID 70215174

IUPAC3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol
SMILESCCc1cc2c(cc1Br)N(CCCO)CCC2(C)C
InChIInChI=1S/C16H24BrNO/c1-4-12-10-13-15(11-14(12)17)18(7-5-9-19)8-6-16(13,2)3/h10-11,19H,4-9H2,1-3H3
InChIKeyGRYCHXGVRIUSIJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.88
Rot. Bonds4

About 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol

3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol (PubChem CID 70215174) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol
PubChem CID70215174
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol
SMILESCCc1cc2c(cc1Br)N(CCCO)CCC2(C)C
InChIInChI=1S/C16H24BrNO/c1-4-12-10-13-15(11-14(12)17)18(7-5-9-19)8-6-16(13,2)3/h10-11,19H,4-9H2,1-3H3
InChIKeyGRYCHXGVRIUSIJ-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol?
The IUPAC name of 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol (CID 70215174) is 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol?
The canonical SMILES for 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol is CCc1cc2c(cc1Br)N(CCCO)CCC2(C)C.
What is the InChIKey of 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol?
The InChIKey is GRYCHXGVRIUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-12-10-13-15(11-14(12)17)18(7-5-9-19)8-6-16(13,2)3/h10-11,19H,4-9H2,1-3H3.
What are the key properties of 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol?
3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-6-ethyl-4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-ol is sourced from PubChem (CID 70215174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).