2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one

C19H15NO4 — CID 122378677

IUPAC2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one
SMILESCOc1ccc(C2C=C(N)Oc3c2c(=O)oc2ccccc32)cc1
InChIInChI=1S/C19H15NO4/c1-22-12-8-6-11(7-9-12)14-10-16(20)24-18-13-4-2-3-5-15(13)23-19(21)17(14)18/h2-10,14H,20H2,1H3
InChIKeyMCZPWMFVRLVCDA-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.13
Rot. Bonds2

About 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one

2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one (PubChem CID 122378677) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one
PubChem CID122378677
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one
SMILESCOc1ccc(C2C=C(N)Oc3c2c(=O)oc2ccccc32)cc1
InChIInChI=1S/C19H15NO4/c1-22-12-8-6-11(7-9-12)14-10-16(20)24-18-13-4-2-3-5-15(13)23-19(21)17(14)18/h2-10,14H,20H2,1H3
InChIKeyMCZPWMFVRLVCDA-UHFFFAOYSA-N
XLogP3.13
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one (CID 122378677) is 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one is COc1ccc(C2C=C(N)Oc3c2c(=O)oc2ccccc32)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one?
The InChIKey is MCZPWMFVRLVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-22-12-8-6-11(7-9-12)14-10-16(20)24-18-13-4-2-3-5-15(13)23-19(21)17(14)18/h2-10,14H,20H2,1H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one?
2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one has a molecular weight of 321.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 122378677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).