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

C18H19NO3 — CID 6545382

IUPAC[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](O)[C@@H](C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-11-8-9-15-14(10-11)17(21)16(20)12(2)19(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17,20-21H,1-2H3/t12-,16+,17-/m1/s1
InChIKeyNAMNMMFNDHEMSZ-OAUYIBNBSA-N
MW297.35 g/mol
LogP2.44
Rot. Bonds1

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

[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 6545382) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID6545382
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESCc1ccc2c(c1)[C@@H](O)[C@@H](O)[C@@H](C)N2C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-11-8-9-15-14(10-11)17(21)16(20)12(2)19(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17,20-21H,1-2H3/t12-,16+,17-/m1/s1
InChIKeyNAMNMMFNDHEMSZ-OAUYIBNBSA-N
XLogP2.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(2S,3S,4S)-3,4-dihydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 15781462
[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 7377775
(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
(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
(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822839
(2R,3R,4R)-1-benzoyl-3-bromo-4-hydroxy-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 7203511
[(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,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 7312959

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 6545382) is [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is Cc1ccc2c(c1)[C@@H](O)[C@@H](O)[C@@H](C)N2C(=O)c1ccccc1.
What is the InChIKey of [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is NAMNMMFNDHEMSZ-OAUYIBNBSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-8-9-15-14(10-11)17(21)16(20)12(2)19(15)18(22)13-6-4-3-5-7-13/h3-10,12,16-17,20-21H,1-2H3/t12-,16+,17-/m1/s1.
What are the key properties of [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 297.35 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 6545382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).