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

C15H14ClNO2 — CID 82109788

IUPAC[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(CCl)o1)N1CCCc2ccccc21
InChIInChI=1S/C15H14ClNO2/c16-10-12-7-8-14(19-12)15(18)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8H,3,5,9-10H2
InChIKeyJNFVZZWSZAVHAN-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.61
Rot. Bonds2

About [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 82109788) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID82109788
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(CCl)o1)N1CCCc2ccccc21
InChIInChI=1S/C15H14ClNO2/c16-10-12-7-8-14(19-12)15(18)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8H,3,5,9-10H2
InChIKeyJNFVZZWSZAVHAN-UHFFFAOYSA-N
XLogP3.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 82706143
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
N-[5-(2,3-dihydroindole-1-carbonyl)furan-2-yl]acetamide
CID 110699898
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 171678806
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 82109788) is [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(CCl)o1)N1CCCc2ccccc21.
What is the InChIKey of [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JNFVZZWSZAVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-10-12-7-8-14(19-12)15(18)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8H,3,5,9-10H2.
What are the key properties of [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)furan-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 82109788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).