3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one

C24H18N2O3 — CID 122370928

IUPAC3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)[nH]c3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H18N2O3/c1-28-17-13-11-16(12-14-17)25-23-20-22(26-21(23)15-7-3-2-4-8-15)18-9-5-6-10-19(18)29-24(20)27/h2-14,25-26H,1H3
InChIKeyLZQMRZYJJHKSHA-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.69
Rot. Bonds4

About 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one

3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 122370928) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
PubChem CID122370928
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)[nH]c3c2c(=O)oc2ccccc23)cc1
InChIInChI=1S/C24H18N2O3/c1-28-17-13-11-16(12-14-17)25-23-20-22(26-21(23)15-7-3-2-4-8-15)18-9-5-6-10-19(18)29-24(20)27/h2-14,25-26H,1H3
InChIKeyLZQMRZYJJHKSHA-UHFFFAOYSA-N
XLogP5.69
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 102416335
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CID 6471218
4-anilino-3-phenylchromen-2-one
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2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
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2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one
CID 171804076
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
2-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenylfuro[3,2-c]chromen-4-one
CID 177479464
N-(4-methoxyphenyl)-3-phenylquinolin-4-amine
CID 70695069
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
3-(4-methoxyphenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
CID 18887609
3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
CID 15419530

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one (CID 122370928) is 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one is COc1ccc(Nc2c(-c3ccccc3)[nH]c3c2c(=O)oc2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is LZQMRZYJJHKSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-17-13-11-16(12-14-17)25-23-20-22(26-21(23)15-7-3-2-4-8-15)18-9-5-6-10-19(18)29-24(20)27/h2-14,25-26H,1H3.
What are the key properties of 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 382.42 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-2-phenyl-1H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 122370928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).