4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one

C19H17N3O2 — CID 4794809

IUPAC4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18(22-11-5-7-13-6-1-4-10-17(13)22)12-16-14-8-2-3-9-15(14)19(24)21-20-16/h1-4,6,8-10H,5,7,11-12H2,(H,21,24)
InChIKeyIOYHPXYAPNOZGV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.44
Rot. Bonds2

About 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one

4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one (PubChem CID 4794809) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
PubChem CID4794809
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H17N3O2/c23-18(22-11-5-7-13-6-1-4-10-17(13)22)12-16-14-8-2-3-9-15(14)19(24)21-20-16/h1-4,6,8-10H,5,7,11-12H2,(H,21,24)
InChIKeyIOYHPXYAPNOZGV-UHFFFAOYSA-N
XLogP2.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one (CID 4794809) is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one is O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one?
The InChIKey is IOYHPXYAPNOZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(22-11-5-7-13-6-1-4-10-17(13)22)12-16-14-8-2-3-9-15(14)19(24)21-20-16/h1-4,6,8-10H,5,7,11-12H2,(H,21,24).
What are the key properties of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one?
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 4794809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).