6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one

C27H18N2O4 — CID 139220396

IUPAC6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one
SMILESO=c1ccc2cc(/N=C\C=C(/Nc3ccc4oc(=O)ccc4c3)c3ccccc3)ccc2o1
InChIInChI=1S/C27H18N2O4/c30-26-12-6-19-16-21(8-10-24(19)32-26)28-15-14-23(18-4-2-1-3-5-18)29-22-9-11-25-20(17-22)7-13-27(31)33-25/h1-17,29H/b23-14-,28-15-
InChIKeyMCGKAPYVBPLJRY-CUACOZRCSA-N
MW434.45 g/mol
LogP5.75
Rot. Bonds5

About 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one

6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one (PubChem CID 139220396) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one.

Molecular Properties

Compound Name6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one
PubChem CID139220396
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one
SMILESO=c1ccc2cc(/N=C\C=C(/Nc3ccc4oc(=O)ccc4c3)c3ccccc3)ccc2o1
InChIInChI=1S/C27H18N2O4/c30-26-12-6-19-16-21(8-10-24(19)32-26)28-15-14-23(18-4-2-1-3-5-18)29-22-9-11-25-20(17-22)7-13-27(31)33-25/h1-17,29H/b23-14-,28-15-
InChIKeyMCGKAPYVBPLJRY-CUACOZRCSA-N
XLogP5.75
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-6-yl)carbamic acid
CID 18427920
N-(2-oxochromen-6-yl)-3-phenylsulfanylpropanamide
CID 55977915
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CID 965741
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
CID 3978190
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
2-iodo-3-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978567
1-ethyl-3-(2-oxochromen-6-yl)thiourea
CID 44586620
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one?
The IUPAC name of 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one (CID 139220396) is 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one.
What is the SMILES notation for 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one?
The canonical SMILES for 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one is O=c1ccc2cc(/N=C\C=C(/Nc3ccc4oc(=O)ccc4c3)c3ccccc3)ccc2o1.
What is the InChIKey of 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one?
The InChIKey is MCGKAPYVBPLJRY-CUACOZRCSA-N. The full InChI is InChI=1S/C27H18N2O4/c30-26-12-6-19-16-21(8-10-24(19)32-26)28-15-14-23(18-4-2-1-3-5-18)29-22-9-11-25-20(17-22)7-13-27(31)33-25/h1-17,29H/b23-14-,28-15-.
What are the key properties of 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one?
6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one has a molecular weight of 434.45 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-3-(2-oxochromen-6-yl)imino-1-phenylprop-1-enyl]amino]chromen-2-one is sourced from PubChem (CID 139220396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).