1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone

C23H18N2O2 — CID 22964612

IUPAC1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
SMILES[H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1C(C)=O
InChIInChI=1S/C23H18N2O2/c1-16(26)21-14-17-12-13-20(15-22(17)27-23(21)24)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3/b24-23-
InChIKeyYIARTKMREDIANL-VHXPQNKSSA-N
MW354.41 g/mol
LogP5.58
Rot. Bonds4

About 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone

1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone (PubChem CID 22964612) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
PubChem CID22964612
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
SMILES[H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1C(C)=O
InChIInChI=1S/C23H18N2O2/c1-16(26)21-14-17-12-13-20(15-22(17)27-23(21)24)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3/b24-23-
InChIKeyYIARTKMREDIANL-VHXPQNKSSA-N
XLogP5.58
TPSA57.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 17373653
2-[[7-(diethylamino)-2-iminochromen-3-yl]-(1,3-dioxoisoindol-2-yl)methylidene]propanedinitrile
CID 102054566
methyl 2-iminochromene-3-carboxylate
CID 12862902
7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 40621529
propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
CID 19289072
1-[4-acetyl-2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethanone
CID 44557812
3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid
CID 10959752
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
3-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]chromen-2-one
CID 87326307
7-(diethylamino)-2-imino-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]chromene-3-carboxamide
CID 19289141
7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381
ethyl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 19289096

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone?
The IUPAC name of 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone (CID 22964612) is 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone.
What is the SMILES notation for 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone?
The canonical SMILES for 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone is [H]/N=c1\oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1C(C)=O.
What is the InChIKey of 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone?
The InChIKey is YIARTKMREDIANL-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16(26)21-14-17-12-13-20(15-22(17)27-23(21)24)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,1H3/b24-23-.
What are the key properties of 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone?
1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone is sourced from PubChem (CID 22964612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).