4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one

C24H15NO3 — CID 135437637

IUPAC4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one
SMILESO=c1oc2c(ccc3ccccc32)c(O)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C24H15NO3/c26-22-19-13-12-16-7-2-4-10-18(16)23(19)28-24(27)20(22)14-25-21-11-5-8-15-6-1-3-9-17(15)21/h1-14,26H/b25-14+
InChIKeyBEWPESBLLWQECF-AFUMVMLFSA-N
MW365.39 g/mol
LogP5.56
Rot. Bonds2

About 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one

4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one (PubChem CID 135437637) has the molecular formula C24H15NO3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one
PubChem CID135437637
Molecular FormulaC24H15NO3
Molecular Weight365.39 g/mol
Exact Mass365.11
IUPAC Name4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one
SMILESO=c1oc2c(ccc3ccccc32)c(O)c1/C=N/c1cccc2ccccc12
InChIInChI=1S/C24H15NO3/c26-22-19-13-12-16-7-2-4-10-18(16)23(19)28-24(27)20(22)14-25-21-11-5-8-15-6-1-3-9-17(15)21/h1-14,26H/b25-14+
InChIKeyBEWPESBLLWQECF-AFUMVMLFSA-N
XLogP5.56
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-{[(3,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135460522
3-[1-(2-Ethyl-6-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135472686
3-[1-(2,4-Dimethyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485029
3-{[(2,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135485030
3-(1H-Indol-3-ylmethylene)-chroman-2,4-dione
CID 135403452
3-[(3h-Indol-3-ylidene)methyl]-4-hydroxy-2h-chromen-2-one
CID 135522466
6-(Anthracen-9-ylmethylideneamino)chromen-2-one
CID 139042696
(e)-8-((Anthracen-2-ylimino)methyl)-7-hydroxy-4-methyl-2h-chromen-2-one
CID 168478006
6-[(e)-(10-Hydroxy-9-anthryl)diazenyl]-2h-chromen-2-one
CID 171393866
3-[4-[(2-Hydroxynaphthalen-1-yl)methylideneamino]phenyl]chromen-2-one
CID 3098660
3-{[(E)-(2-{[(2-methylphenyl)carbonyl]oxy}naphthalen-1-yl)methylidene]amino}benzoic acid
CID 3559008
4-hydroxy-3-(2-methyl-3H-1,5-benzodiazepin-4-yl)benzo[h]chromen-2-one
CID 135436122

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one?
The IUPAC name of 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one (CID 135437637) is 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one is O=c1oc2c(ccc3ccccc32)c(O)c1/C=N/c1cccc2ccccc12.
What is the InChIKey of 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one?
The InChIKey is BEWPESBLLWQECF-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H15NO3/c26-22-19-13-12-16-7-2-4-10-18(16)23(19)28-24(27)20(22)14-25-21-11-5-8-15-6-1-3-9-17(15)21/h1-14,26H/b25-14+.
What are the key properties of 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one?
4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(naphthalen-1-yliminomethyl)benzo[h]chromen-2-one is sourced from PubChem (CID 135437637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).