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

C20H19N3O3 — CID 154755788

IUPAC2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one
SMILESCOC1Cc2ccccc2N(C(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C20H19N3O3/c1-26-16-10-14-6-3-5-9-18(14)22(12-16)19(24)13-23-20(25)17-8-4-2-7-15(17)11-21-23/h2-9,11,16H,10,12-13H2,1H3
InChIKeyOSHNITMQZLMQIV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.00
Rot. Bonds3

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

2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one (PubChem CID 154755788) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one
PubChem CID154755788
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one
SMILESCOC1Cc2ccccc2N(C(=O)Cn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C20H19N3O3/c1-26-16-10-14-6-3-5-9-18(14)22(12-16)19(24)13-23-20(25)17-8-4-2-7-15(17)11-21-23/h2-9,11,16H,10,12-13H2,1H3
InChIKeyOSHNITMQZLMQIV-UHFFFAOYSA-N
XLogP2.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one (CID 154755788) is 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one is COC1Cc2ccccc2N(C(=O)Cn2ncc3ccccc3c2=O)C1.
What is the InChIKey of 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one?
The InChIKey is OSHNITMQZLMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-16-10-14-6-3-5-9-18(14)22(12-16)19(24)13-23-20(25)17-8-4-2-7-15(17)11-21-23/h2-9,11,16H,10,12-13H2,1H3.
What are the key properties of 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one?
2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one has a molecular weight of 349.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 154755788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).