6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one

C18H22ClNO — CID 63433461

IUPAC6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)CC3CC4CCC3C4)ccc2N1
InChIInChI=1S/C18H22ClNO/c19-16(10-15-8-11-1-2-12(15)7-11)13-3-5-17-14(9-13)4-6-18(21)20-17/h3,5,9,11-12,15-16H,1-2,4,6-8,10H2,(H,20,21)
InChIKeySVLBETJSLBSNFJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.68
Rot. Bonds3

About 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63433461) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63433461
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)CC3CC4CCC3C4)ccc2N1
InChIInChI=1S/C18H22ClNO/c19-16(10-15-8-11-1-2-12(15)7-11)13-3-5-17-14(9-13)4-6-18(21)20-17/h3,5,9,11-12,15-16H,1-2,4,6-8,10H2,(H,20,21)
InChIKeySVLBETJSLBSNFJ-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3H-1,3-benzoxazol-2-one
CID 63432889
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63428698
6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82288916
2-[2-chloro-2-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55199641
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one (CID 63433461) is 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)CC3CC4CCC3C4)ccc2N1.
What is the InChIKey of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SVLBETJSLBSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-16(10-15-8-11-1-2-12(15)7-11)13-3-5-17-14(9-13)4-6-18(21)20-17/h3,5,9,11-12,15-16H,1-2,4,6-8,10H2,(H,20,21).
What are the key properties of 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 303.83 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63433461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).