5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione

C16H15N3O3 — CID 43824689

IUPAC5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1cccc(O)c1
InChIInChI=1S/C16H15N3O3/c1-9(10-4-2-5-11(20)8-10)17-13-7-3-6-12-14(13)16(22)19-18-15(12)21/h2-9,17,20H,1H3,(H,18,21)(H,19,22)
InChIKeyFXMGUAWPTMWQMO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.10
Rot. Bonds3

About 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione

5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione (PubChem CID 43824689) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
PubChem CID43824689
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
SMILESCC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1cccc(O)c1
InChIInChI=1S/C16H15N3O3/c1-9(10-4-2-5-11(20)8-10)17-13-7-3-6-12-14(13)16(22)19-18-15(12)21/h2-9,17,20H,1H3,(H,18,21)(H,19,22)
InChIKeyFXMGUAWPTMWQMO-UHFFFAOYSA-N
XLogP2.10
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(2-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
CID 43824684
5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43824682
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
propan-2-yl N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamate
CID 116653958
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
CID 62639645
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
CID 43738358
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione (CID 43824689) is 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione is CC(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1cccc(O)c1.
What is the InChIKey of 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is FXMGUAWPTMWQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9(10-4-2-5-11(20)8-10)17-13-7-3-6-12-14(13)16(22)19-18-15(12)21/h2-9,17,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione?
5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 297.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 43824689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).