6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one

C19H20N2O5S — CID 7320788

IUPAC6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N2O5S/c1-12-3-4-13-9-14(25-2)5-7-17(13)21(12)27(23,24)15-6-8-18-16(10-15)20-19(22)11-26-18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyHADARXXIPPPJED-LBPRGKRZSA-N
MW388.45 g/mol
LogP2.56
Rot. Bonds3

About 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one

6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 7320788) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
PubChem CID7320788
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N2O5S/c1-12-3-4-13-9-14(25-2)5-7-17(13)21(12)27(23,24)15-6-8-18-16(10-15)20-19(22)11-26-18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyHADARXXIPPPJED-LBPRGKRZSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 7126501
N-(2,5-dimethoxyphenyl)-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 50784719
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
6-(4-cyclopropyl-2-methylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 162630443
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
6-[3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 129004903
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55681595
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
6-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 17139157
6-(4-ethylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 22548280
6-[(3S)-3-hydroxypiperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 107225159

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one (CID 7320788) is 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one is COc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is HADARXXIPPPJED-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-3-4-13-9-14(25-2)5-7-17(13)21(12)27(23,24)15-6-8-18-16(10-15)20-19(22)11-26-18/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one?
6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 388.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 7320788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).