(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C16H14BrNO — CID 789110

IUPAC(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H14BrNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyXPHRMLJSTGXJCS-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.04
Rot. Bonds1

About (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 789110) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID789110
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C16H14BrNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyXPHRMLJSTGXJCS-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 789110) is (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCCc2ccccc21.
What is the InChIKey of (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is XPHRMLJSTGXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-14-8-3-6-13(11-14)16(19)18-10-4-7-12-5-1-2-9-15(12)18/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 316.20 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 789110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).