[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

C18H17Cl2NO — CID 7377775

IUPAC[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@@H](Cl)[C@H](Cl)[C@H](C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H17Cl2NO/c1-11-8-9-15-14(10-11)17(20)16(19)12(2)21(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17H,1-2H3/t12-,16+,17+/m0/s1
InChIKeyMOYBLVBLCSVNJJ-JCURWCKSSA-N
MW334.25 g/mol
LogP4.93
Rot. Bonds1

About [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 7377775) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID7377775
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@@H](Cl)[C@H](Cl)[C@H](C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H17Cl2NO/c1-11-8-9-15-14(10-11)17(20)16(19)12(2)21(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17H,1-2H3/t12-,16+,17+/m0/s1
InChIKeyMOYBLVBLCSVNJJ-JCURWCKSSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 6545382
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-phenylmethanone
CID 3428256
[(4aS,9bS)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-phenylmethanone
CID 11914129
[(2S,3S,4S)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 15781462
(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 1423452
(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
CID 101469202
[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-chlorophenyl)methanone
CID 11913504
1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea
CID 17336877
[(6aS,12aR)-2-methyl-5,6,6a,12a-tetrahydroquinolino[3,4-b][1,4]benzoxazin-12-yl]-phenylmethanone
CID 102294219
[(4aS,9bS)-2-benzyl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-5-yl]-(4-fluorophenyl)methanone
CID 11914109
[(2R,4R)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate
CID 7343258

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 7377775) is [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is Cc1ccc2c(c1)[C@@H](Cl)[C@H](Cl)[C@H](C)N2C(=O)c1ccccc1.
What is the InChIKey of [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is MOYBLVBLCSVNJJ-JCURWCKSSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-11-8-9-15-14(10-11)17(20)16(19)12(2)21(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17H,1-2H3/t12-,16+,17+/m0/s1.
What are the key properties of [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 334.25 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 7377775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).