10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

C25H15NO6 — CID 58550666

IUPAC10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
SMILESNc1ccc2c(c1)Oc1c(c(=O)oc3ccccc13)C2c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C25H15NO6/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,27H,26H2
InChIKeyZDKIPJNEUFKQAZ-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.47
Rot. Bonds1

About 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one

10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one (PubChem CID 58550666) has the molecular formula C25H15NO6 and a molecular weight of 425.40 g/mol. Its IUPAC name is 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one.

Molecular Properties

Compound Name10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
PubChem CID58550666
Molecular FormulaC25H15NO6
Molecular Weight425.40 g/mol
Exact Mass425.09
IUPAC Name10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
SMILESNc1ccc2c(c1)Oc1c(c(=O)oc3ccccc13)C2c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C25H15NO6/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,27H,26H2
InChIKeyZDKIPJNEUFKQAZ-UHFFFAOYSA-N
XLogP4.47
TPSA115.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

13-(2-chlorophenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 139237910
1,3-dihydroxy-7-(4,5,7-trihydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
CID 54683163
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
22-hydroxy-4,12,18-trioxa-14,16-diazahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),5,7,9,13,17(25),19(24),20,22-nonaene-3,15-dione
CID 171344888
3-(8,10-dimethoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-hydroxychromen-2-one
CID 54732039
(4S)-2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1039920
3-[3-(3-aminophenyl)propyl]-4-hydroxychromen-2-one
CID 54733322
(4S)-2-amino-4-(3-methylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 765603
ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 1002261
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2813770
(4S)-2-amino-4-(furan-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 699303
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057

Frequently Asked Questions

What is the IUPAC name of 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The IUPAC name of 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one (CID 58550666) is 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one.
What is the SMILES notation for 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The canonical SMILES for 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one is Nc1ccc2c(c1)Oc1c(c(=O)oc3ccccc13)C2c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
The InChIKey is ZDKIPJNEUFKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO6/c26-12-9-10-13-18(11-12)30-23-15-6-2-4-8-17(15)32-25(29)21(23)19(13)20-22(27)14-5-1-3-7-16(14)31-24(20)28/h1-11,19,27H,26H2.
What are the key properties of 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one?
10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one has a molecular weight of 425.40 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one is sourced from PubChem (CID 58550666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).