azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone

C19H15BrN2O — CID 7677683

IUPACazetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC1
InChIInChI=1S/C19H15BrN2O/c20-14-8-6-13(7-9-14)18-12-16(19(23)22-10-3-11-22)15-4-1-2-5-17(15)21-18/h1-2,4-9,12H,3,10-11H2
InChIKeyULVCGQUFCWWIBA-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.51
Rot. Bonds2

About azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone

azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone (PubChem CID 7677683) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
PubChem CID7677683
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Nameazetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC1
InChIInChI=1S/C19H15BrN2O/c20-14-8-6-13(7-9-14)18-12-16(19(23)22-10-3-11-22)15-4-1-2-5-17(15)21-18/h1-2,4-9,12H,3,10-11H2
InChIKeyULVCGQUFCWWIBA-UHFFFAOYSA-N
XLogP4.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
[2-(4-bromophenyl)quinolin-4-yl]-(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 167935259
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
benzotriazol-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 1221571

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone (CID 7677683) is azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC1.
What is the InChIKey of azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone?
The InChIKey is ULVCGQUFCWWIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-14-8-6-13(7-9-14)18-12-16(19(23)22-10-3-11-22)15-4-1-2-5-17(15)21-18/h1-2,4-9,12H,3,10-11H2.
What are the key properties of azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone?
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone has a molecular weight of 367.25 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 7677683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).