(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile

C19H11ClN2O3 — CID 1261430

IUPAC(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H11ClN2O3/c20-11-5-3-4-10(8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-6-1-2-7-14(12)24-19/h1-8,15H,22H2/t15-/m0/s1
InChIKeyBWULDWUFYWIJML-HNNXBMFYSA-N
MW350.76 g/mol
LogP3.66
Rot. Bonds1

About (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile

(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (PubChem CID 1261430) has the molecular formula C19H11ClN2O3 and a molecular weight of 350.76 g/mol. Its IUPAC name is (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
PubChem CID1261430
Molecular FormulaC19H11ClN2O3
Molecular Weight350.76 g/mol
Exact Mass350.05
IUPAC Name(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H11ClN2O3/c20-11-5-3-4-10(8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-6-1-2-7-14(12)24-19/h1-8,15H,22H2/t15-/m0/s1
InChIKeyBWULDWUFYWIJML-HNNXBMFYSA-N
XLogP3.66
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 722148
2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 4060700
(4S)-2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1258765
(4R)-2-amino-8-methoxy-5-oxo-4-(3-propan-2-yloxyphenyl)-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261478
(4S)-2-amino-4-(3-methylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 765603
(4S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1039920
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
2-amino-4-(3-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
CID 11838541
(4R)-2-amino-4-(3,4-difluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1099039
5-acetyl-2-amino-4-(3-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3502693
2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815055

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The IUPAC name of (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (CID 1261430) is (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The InChIKey is BWULDWUFYWIJML-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H11ClN2O3/c20-11-5-3-4-10(8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-6-1-2-7-14(12)24-19/h1-8,15H,22H2/t15-/m0/s1.
What are the key properties of (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile has a molecular weight of 350.76 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is sourced from PubChem (CID 1261430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).