(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

C17H11N3O2S — CID 671892

IUPAC(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccsc1
InChIInChI=1S/C17H11N3O2S/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21/h1-6,8,13H,19H2,(H,20,21)/t13-/m0/s1
InChIKeyMTPLAKVYWSDDMG-ZDUSSCGKSA-N
MW321.36 g/mol
LogP2.81
Rot. Bonds1

About (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 671892) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID671892
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccsc1
InChIInChI=1S/C17H11N3O2S/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21/h1-6,8,13H,19H2,(H,20,21)/t13-/m0/s1
InChIKeyMTPLAKVYWSDDMG-ZDUSSCGKSA-N
XLogP2.81
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-(4-chlorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 3898306
(4S)-2-amino-4-(3-methylthiophen-2-yl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 27518134
(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7306558
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 69083077
(4R)-2-amino-4-(2-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7556269
2-amino-4-(3-ethoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 17067554
(4S)-2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 7555617
2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile
CID 23790742
(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 912920
(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220907
(4R)-2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 40551732
2-amino-5-oxo-4-phenyl-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 4915894

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (CID 671892) is (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccsc1.
What is the InChIKey of (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is MTPLAKVYWSDDMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H11N3O2S/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)20-17(14)21/h1-6,8,13H,19H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 321.36 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 671892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).