1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one

C18H24BrNO2 — CID 124889041

IUPAC1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one
SMILESCC1(C)CCN(C(=O)CC[C@@H]2CCOC2)c2cc(Br)ccc21
InChIInChI=1S/C18H24BrNO2/c1-18(2)8-9-20(16-11-14(19)4-5-15(16)18)17(21)6-3-13-7-10-22-12-13/h4-5,11,13H,3,6-10,12H2,1-2H3/t13-/m1/s1
InChIKeyRCUVPIYWXLBGIM-CYBMUJFWSA-N
MW366.30 g/mol
LogP4.28
Rot. Bonds3

About 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one

1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one (PubChem CID 124889041) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one
PubChem CID124889041
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC Name1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one
SMILESCC1(C)CCN(C(=O)CC[C@@H]2CCOC2)c2cc(Br)ccc21
InChIInChI=1S/C18H24BrNO2/c1-18(2)8-9-20(16-11-14(19)4-5-15(16)18)17(21)6-3-13-7-10-22-12-13/h4-5,11,13H,3,6-10,12H2,1-2H3/t13-/m1/s1
InChIKeyRCUVPIYWXLBGIM-CYBMUJFWSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one?
The IUPAC name of 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one (CID 124889041) is 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one.
What is the SMILES notation for 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one?
The canonical SMILES for 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one is CC1(C)CCN(C(=O)CC[C@@H]2CCOC2)c2cc(Br)ccc21.
What is the InChIKey of 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one?
The InChIKey is RCUVPIYWXLBGIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24BrNO2/c1-18(2)8-9-20(16-11-14(19)4-5-15(16)18)17(21)6-3-13-7-10-22-12-13/h4-5,11,13H,3,6-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one?
1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one has a molecular weight of 366.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-[(3R)-oxolan-3-yl]propan-1-one is sourced from PubChem (CID 124889041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).