N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide

C28H30N4O4 — CID 161482084

IUPACN-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
SMILESNc1cccc(-c2ccc(NC(=O)c3ccc(NCCN4CCOCC4)cc3)c3c2CCC3=O)c1O
InChIInChI=1S/C28H30N4O4/c29-23-3-1-2-22(27(23)34)20-8-10-24(26-21(20)9-11-25(26)33)31-28(35)18-4-6-19(7-5-18)30-12-13-32-14-16-36-17-15-32/h1-8,10,30,34H,9,11-17,29H2,(H,31,35)
InChIKeyWEMNVPOUUUKBJP-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.77
Rot. Bonds7

About N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide

N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide (PubChem CID 161482084) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide.

Molecular Properties

Compound NameN-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
PubChem CID161482084
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
SMILESNc1cccc(-c2ccc(NC(=O)c3ccc(NCCN4CCOCC4)cc3)c3c2CCC3=O)c1O
InChIInChI=1S/C28H30N4O4/c29-23-3-1-2-22(27(23)34)20-8-10-24(26-21(20)9-11-25(26)33)31-28(35)18-4-6-19(7-5-18)30-12-13-32-14-16-36-17-15-32/h1-8,10,30,34H,9,11-17,29H2,(H,31,35)
InChIKeyWEMNVPOUUUKBJP-UHFFFAOYSA-N
XLogP3.77
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
CID 161302701
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-[7-(2-methyl-1,3-benzoxazol-7-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 159069224
N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
CID 160848649
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
1,4-diamino-5-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 135182847
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-(2-aminophenyl)-4-[[6-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-2-yl]-sulfanylmethyl]benzamide
CID 87194750
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431

Frequently Asked Questions

What is the IUPAC name of N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide?
The IUPAC name of N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide (CID 161482084) is N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide.
What is the SMILES notation for N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide?
The canonical SMILES for N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide is Nc1cccc(-c2ccc(NC(=O)c3ccc(NCCN4CCOCC4)cc3)c3c2CCC3=O)c1O.
What is the InChIKey of N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide?
The InChIKey is WEMNVPOUUUKBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c29-23-3-1-2-22(27(23)34)20-8-10-24(26-21(20)9-11-25(26)33)31-28(35)18-4-6-19(7-5-18)30-12-13-32-14-16-36-17-15-32/h1-8,10,30,34H,9,11-17,29H2,(H,31,35).
What are the key properties of N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide?
N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide has a molecular weight of 486.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide is sourced from PubChem (CID 161482084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).