6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C15H14ClNO2 — CID 61085173

IUPAC6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C15H14ClNO2/c1-9-2-6-13(19-9)15(16)11-3-5-12-10(8-11)4-7-14(18)17-12/h2-3,5-6,8,15H,4,7H2,1H3,(H,17,18)
InChIKeyFREIUKSLUVOOQD-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.80
Rot. Bonds2

About 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61085173) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61085173
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C15H14ClNO2/c1-9-2-6-13(19-9)15(16)11-3-5-12-10(8-11)4-7-14(18)17-12/h2-3,5-6,8,15H,4,7H2,1H3,(H,17,18)
InChIKeyFREIUKSLUVOOQD-UHFFFAOYSA-N
XLogP3.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
6-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085170
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107983452
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
6-[(2,5-dimethylfuran-3-yl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483885

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61085173) is 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)o1.
What is the InChIKey of 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FREIUKSLUVOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-2-6-13(19-9)15(16)11-3-5-12-10(8-11)4-7-14(18)17-12/h2-3,5-6,8,15H,4,7H2,1H3,(H,17,18).
What are the key properties of 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 275.74 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61085173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).