4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one

C23H18N2O3 — CID 56928518

IUPAC4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one
SMILESNc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C23H18N2O3/c24-20-8-4-5-9-21(20)25-14-17-12-23(26)28-22-13-18(10-11-19(17)22)27-15-16-6-2-1-3-7-16/h1-14H,15,24H2/b25-14+
InChIKeyFTAPZWOGJMQTQA-AFUMVMLFSA-N
MW370.41 g/mol
LogP4.70
Rot. Bonds5

About 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one

4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one (PubChem CID 56928518) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one
PubChem CID56928518
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one
SMILESNc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C23H18N2O3/c24-20-8-4-5-9-21(20)25-14-17-12-23(26)28-22-13-18(10-11-19(17)22)27-15-16-6-2-1-3-7-16/h1-14H,15,24H2/b25-14+
InChIKeyFTAPZWOGJMQTQA-AFUMVMLFSA-N
XLogP4.70
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one (CID 56928518) is 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one is Nc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one?
The InChIKey is FTAPZWOGJMQTQA-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-20-8-4-5-9-21(20)25-14-17-12-23(26)28-22-13-18(10-11-19(17)22)27-15-16-6-2-1-3-7-16/h1-14H,15,24H2/b25-14+.
What are the key properties of 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one?
4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 56928518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).