(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one

C15H17NO3 — CID 638263

IUPAC(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
SMILESCn1c2c(c(=O)c3ccccc31)C[C@@H](C(C)(C)O)O2
InChIInChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3/t12-/m0/s1
InChIKeyVLHROMVHVKMNLA-LBPRGKRZSA-N
MW259.30 g/mol
LogP1.61
Rot. Bonds1

About (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one

(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one (PubChem CID 638263) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
PubChem CID638263
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
SMILESCn1c2c(c(=O)c3ccccc31)C[C@@H](C(C)(C)O)O2
InChIInChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3/t12-/m0/s1
InChIKeyVLHROMVHVKMNLA-LBPRGKRZSA-N
XLogP1.61
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one with MolForge

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Related Compounds

2-(1-chloro-2-hydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
CID 5486900
2,9-dimethyl-2-phenyl-3H-furo[2,3-b]quinolin-4-one
CID 12007220
[(2S)-2-hydroxy-2-[(2S)-5-hydroxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-2-yl]propyl] acetate
CID 163009000
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
3-(2-hydroxy-2-methylpropanoyl)-11-methyl-2,3-dihydrobenzo[b][1]benzazepine-5,6-dione
CID 70478233
(3S)-3-hydroxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
CID 57340431
2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
CID 11281047
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
(2R)-2-(2-hydroxypropan-2-yl)-5,10-dimethoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
CID 163055733
5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
CID 5281849
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one?
The IUPAC name of (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one (CID 638263) is (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one.
What is the SMILES notation for (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one?
The canonical SMILES for (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one is Cn1c2c(c(=O)c3ccccc31)C[C@@H](C(C)(C)O)O2.
What is the InChIKey of (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one?
The InChIKey is VLHROMVHVKMNLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one?
(2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one has a molecular weight of 259.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one is sourced from PubChem (CID 638263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).