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

C20H14N2O4 — CID 722148

IUPAC(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESCOc1cccc([C@@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)c1
InChIInChI=1S/C20H14N2O4/c1-24-12-6-4-5-11(9-12)16-14(10-21)19(22)26-20-17(16)18(23)13-7-2-3-8-15(13)25-20/h2-9,16H,22H2,1H3/t16-/m1/s1
InChIKeyVDPSMWGIWNQYJT-MRXNPFEDSA-N
MW346.34 g/mol
LogP3.02
Rot. Bonds2

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

(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (PubChem CID 722148) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
PubChem CID722148
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESCOc1cccc([C@@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)c1
InChIInChI=1S/C20H14N2O4/c1-24-12-6-4-5-11(9-12)16-14(10-21)19(22)26-20-17(16)18(23)13-7-2-3-8-15(13)25-20/h2-9,16H,22H2,1H3/t16-/m1/s1
InChIKeyVDPSMWGIWNQYJT-MRXNPFEDSA-N
XLogP3.02
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261430
2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815055
(4S)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 689723
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
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(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
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2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 142491894
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
(4S)-2-amino-4-(3-methylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 765603
2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile
CID 23822591
ethyl (4R)-6-amino-5-cyano-4-(3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (CID 722148) is (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is COc1cccc([C@@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)c1.
What is the InChIKey of (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The InChIKey is VDPSMWGIWNQYJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-24-12-6-4-5-11(9-12)16-14(10-21)19(22)26-20-17(16)18(23)13-7-2-3-8-15(13)25-20/h2-9,16H,22H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile has a molecular weight of 346.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is sourced from PubChem (CID 722148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).