(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

C15H20N2O2 — CID 135902409

IUPAC(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCc1noc2c1[C@H](CC(C)C)C1=C(CCCC1=O)N2
InChIInChI=1S/C15H20N2O2/c1-8(2)7-10-13-9(3)17-19-15(13)16-11-5-4-6-12(18)14(10)11/h8,10,16H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyGJJGIRZRXCAYPA-JTQLQIEISA-N
MW260.34 g/mol
LogP3.55
Rot. Bonds2

About (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (PubChem CID 135902409) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Name(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
PubChem CID135902409
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCc1noc2c1[C@H](CC(C)C)C1=C(CCCC1=O)N2
InChIInChI=1S/C15H20N2O2/c1-8(2)7-10-13-9(3)17-19-15(13)16-11-5-4-6-12(18)14(10)11/h8,10,16H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyGJJGIRZRXCAYPA-JTQLQIEISA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one with MolForge

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Related Compounds

(4S)-3-methyl-4-(4-propan-2-ylphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135925055
(4R)-3-methyl-4-thiophen-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135950593
(4S)-4-(3-chlorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899877
(4S)-3-methyl-4-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899884
(4S)-3-methyl-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135897675
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135653491
(4R)-4-(3-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135904141
(4S)-2-ethylsulfanyl-4-(2-methylpropyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 877181
4-propan-2-yl-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 86037433
(4S,7R)-7-(4-hydroxyphenyl)-3-methyl-4-(4-propan-2-ylphenyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911439
7-(3,4-dimethoxyphenyl)-3-methyl-4-propan-2-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135998960
(4R)-4-(2-chlorophenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136728446

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The IUPAC name of (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (CID 135902409) is (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The canonical SMILES for (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is Cc1noc2c1[C@H](CC(C)C)C1=C(CCCC1=O)N2.
What is the InChIKey of (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The InChIKey is GJJGIRZRXCAYPA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O2/c1-8(2)7-10-13-9(3)17-19-15(13)16-11-5-4-6-12(18)14(10)11/h8,10,16H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
(4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one has a molecular weight of 260.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-(2-methylpropyl)-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 135902409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).