[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16ClNO — CID 43333292

IUPAC[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H16ClNO/c18-12-13-7-9-15(10-8-13)17(20)19-11-3-5-14-4-1-2-6-16(14)19/h1-2,4,6-10H,3,5,11-12H2
InChIKeyQDDLBNBETXCLAJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.02
Rot. Bonds2

About [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 43333292) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID43333292
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H16ClNO/c18-12-13-7-9-15(10-8-13)17(20)19-11-3-5-14-4-1-2-6-16(14)19/h1-2,4,6-10H,3,5,11-12H2
InChIKeyQDDLBNBETXCLAJ-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 171678806
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82109788
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 43333292) is [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(CCl)cc1)N1CCCc2ccccc21.
What is the InChIKey of [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QDDLBNBETXCLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-12-13-7-9-15(10-8-13)17(20)19-11-3-5-14-4-1-2-6-16(14)19/h1-2,4,6-10H,3,5,11-12H2.
What are the key properties of [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.77 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 43333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).