2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C24H19N3O2 — CID 2839342

IUPAC2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H19N3O2/c25-12-17-22(18-13-27-19-9-5-4-8-16(18)19)23-20(28)10-15(11-21(23)29-24(17)26)14-6-2-1-3-7-14/h1-9,13,15,22,27H,10-11,26H2
InChIKeyWDWSRUMPOOAPMB-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.38
Rot. Bonds2

About 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2839342) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2839342
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H19N3O2/c25-12-17-22(18-13-27-19-9-5-4-8-16(18)19)23-20(28)10-15(11-21(23)29-24(17)26)14-6-2-1-3-7-14/h1-9,13,15,22,27H,10-11,26H2
InChIKeyWDWSRUMPOOAPMB-UHFFFAOYSA-N
XLogP4.38
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2839342) is 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is WDWSRUMPOOAPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-12-17-22(18-13-27-19-9-5-4-8-16(18)19)23-20(28)10-15(11-21(23)29-24(17)26)14-6-2-1-3-7-14/h1-9,13,15,22,27H,10-11,26H2.
What are the key properties of 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-indol-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2839342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).