4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one

C23H17NO4 — CID 11610401

IUPAC4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one
SMILESCOc1ccc(NCc2cc(=O)oc3cc4oc5ccccc5c4cc23)cc1
InChIInChI=1S/C23H17NO4/c1-26-16-8-6-15(7-9-16)24-13-14-10-23(25)28-21-12-22-19(11-18(14)21)17-4-2-3-5-20(17)27-22/h2-12,24H,13H2,1H3
InChIKeySHHTYORHZPLZMH-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.31
Rot. Bonds4

About 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one

4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one (PubChem CID 11610401) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one.

Molecular Properties

Compound Name4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one
PubChem CID11610401
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one
SMILESCOc1ccc(NCc2cc(=O)oc3cc4oc5ccccc5c4cc23)cc1
InChIInChI=1S/C23H17NO4/c1-26-16-8-6-15(7-9-16)24-13-14-10-23(25)28-21-12-22-19(11-18(14)21)17-4-2-3-5-20(17)27-22/h2-12,24H,13H2,1H3
InChIKeySHHTYORHZPLZMH-UHFFFAOYSA-N
XLogP5.31
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
4-[(3-chloro-4-fluoroanilino)methyl]-7-methoxychromen-2-one
CID 36587616
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
4-[[4-(difluoromethoxy)anilino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 134062843
1-[(4-hydroxyanilino)methyl]benzo[f]chromen-3-one
CID 11347662
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
CID 25146135
7-methoxy-4-[(3-phenylpropylamino)methyl]chromen-2-one
CID 9265675
4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methoxychromen-2-one
CID 46269046
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one?
The IUPAC name of 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one (CID 11610401) is 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one.
What is the SMILES notation for 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one?
The canonical SMILES for 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one is COc1ccc(NCc2cc(=O)oc3cc4oc5ccccc5c4cc23)cc1.
What is the InChIKey of 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one?
The InChIKey is SHHTYORHZPLZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-26-16-8-6-15(7-9-16)24-13-14-10-23(25)28-21-12-22-19(11-18(14)21)17-4-2-3-5-20(17)27-22/h2-12,24H,13H2,1H3.
What are the key properties of 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one?
4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one has a molecular weight of 371.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyanilino)methyl]-[1]benzofuro[3,2-g]chromen-2-one is sourced from PubChem (CID 11610401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).