7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one

C25H21NO2 — CID 123287226

IUPAC7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one
SMILESNc1ccc2c(=O)c(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C25H21NO2/c26-20-13-14-21-22(15-20)28-25(19-5-2-1-3-6-19)23(24(21)27)18-11-9-17(10-12-18)16-7-4-8-16/h1-3,5-6,9-16H,4,7-8,26H2
InChIKeySLVOYSHPELZAMY-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.98
Rot. Bonds3

About 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one

7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one (PubChem CID 123287226) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one
PubChem CID123287226
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one
SMILESNc1ccc2c(=O)c(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)oc2c1
InChIInChI=1S/C25H21NO2/c26-20-13-14-21-22(15-20)28-25(19-5-2-1-3-6-19)23(24(21)27)18-11-9-17(10-12-18)16-7-4-8-16/h1-3,5-6,9-16H,4,7-8,26H2
InChIKeySLVOYSHPELZAMY-UHFFFAOYSA-N
XLogP5.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10562758
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5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
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methyl 6-amino-2-phenyl-1-benzofuran-3-carboxylate
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2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
4-[2-(4-fluorophenyl)-4-oxochromen-3-yl]benzaldehyde
CID 167313341
2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164797633
7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
CID 14626335
3-(4-cyclobutylphenyl)-4-methylaniline
CID 116506514
3-amino-6-cyclobutyl-2,5,8-triphenylpyrano[2,3-c]pyridin-4-one
CID 67068048

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one?
The IUPAC name of 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one (CID 123287226) is 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one.
What is the SMILES notation for 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one?
The canonical SMILES for 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one is Nc1ccc2c(=O)c(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)oc2c1.
What is the InChIKey of 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one?
The InChIKey is SLVOYSHPELZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c26-20-13-14-21-22(15-20)28-25(19-5-2-1-3-6-19)23(24(21)27)18-11-9-17(10-12-18)16-7-4-8-16/h1-3,5-6,9-16H,4,7-8,26H2.
What are the key properties of 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one?
7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one has a molecular weight of 367.45 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one is sourced from PubChem (CID 123287226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).