2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one

C22H23N3O2 — CID 55674060

IUPAC2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-15(2)16-9-10-20-17(12-16)7-5-11-24(20)21(26)14-25-22(27)19-8-4-3-6-18(19)13-23-25/h3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3
InChIKeyQZEOYSXOFWQLCN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.50
Rot. Bonds3

About 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one

2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one (PubChem CID 55674060) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
PubChem CID55674060
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-15(2)16-9-10-20-17(12-16)7-5-11-24(20)21(26)14-25-22(27)19-8-4-3-6-18(19)13-23-25/h3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3
InChIKeyQZEOYSXOFWQLCN-UHFFFAOYSA-N
XLogP3.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one with MolForge

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Related Compounds

2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
2-methyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)phthalazin-1-one
CID 55674260
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
2-[2-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 154755788
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
CID 16847048
2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
CID 60602382
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one (CID 55674060) is 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one is CC(C)c1ccc2c(c1)CCCN2C(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one?
The InChIKey is QZEOYSXOFWQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)16-9-10-20-17(12-16)7-5-11-24(20)21(26)14-25-22(27)19-8-4-3-6-18(19)13-23-25/h3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3.
What are the key properties of 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one?
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 55674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).