(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

C16H11NO3S — CID 7220907

IUPAC(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@@H](c2ccsc2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C16H11NO3S/c18-13-7-11(9-5-6-21-8-9)14-15(20-13)10-3-1-2-4-12(10)17-16(14)19/h1-6,8,11H,7H2,(H,17,19)/t11-/m0/s1
InChIKeySKXWGYNRSKWBLV-NSHDSACASA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds1

About (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 7220907) has the molecular formula C16H11NO3S and a molecular weight of 297.33 g/mol. Its IUPAC name is (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID7220907
Molecular FormulaC16H11NO3S
Molecular Weight297.33 g/mol
Exact Mass297.05
IUPAC Name(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@@H](c2ccsc2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C16H11NO3S/c18-13-7-11(9-5-6-21-8-9)14-15(20-13)10-3-1-2-4-12(10)17-16(14)19/h1-6,8,11H,7H2,(H,17,19)/t11-/m0/s1
InChIKeySKXWGYNRSKWBLV-NSHDSACASA-N
XLogP3.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7426431
(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220904
(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 671892
(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220900
4-cyclopropyl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 6324683
(4S)-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 51688966
1-thiophen-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 4554336
6-(2-bromophenyl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione
CID 169452341
(2R)-2-thiophen-3-yl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 27882256
13-(3,4-dimethoxybenzoyl)-2-oxa-10,16-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 132600532
4-methoxy-3-thiophen-3-yl-1H-quinolin-2-one
CID 14001220
3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
CID 2784056

Frequently Asked Questions

What is the IUPAC name of (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 7220907) is (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is O=C1C[C@@H](c2ccsc2)c2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is SKXWGYNRSKWBLV-NSHDSACASA-N. The full InChI is InChI=1S/C16H11NO3S/c18-13-7-11(9-5-6-21-8-9)14-15(20-13)10-3-1-2-4-12(10)17-16(14)19/h1-6,8,11H,7H2,(H,17,19)/t11-/m0/s1.
What are the key properties of (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 297.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 7220907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).