2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one

C25H27N3O3 — CID 16885514

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-31-21-13-11-19(12-14-21)22-15-16-25(30)28(26-22)18-6-10-24(29)27-17-5-8-20-7-3-4-9-23(20)27/h3-4,7,9,11-16H,2,5-6,8,10,17-18H2,1H3
InChIKeyPIKMJIMONAHUSY-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.07
Rot. Bonds7

About 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one

2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one (PubChem CID 16885514) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
PubChem CID16885514
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C25H27N3O3/c1-2-31-21-13-11-19(12-14-21)22-15-16-25(30)28(26-22)18-6-10-24(29)27-17-5-8-20-7-3-4-9-23(20)27/h3-4,7,9,11-16H,2,5-6,8,10,17-18H2,1H3
InChIKeyPIKMJIMONAHUSY-UHFFFAOYSA-N
XLogP4.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8542155
6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 16884851
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885591
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 25280934
2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
CID 50800901
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
CID 5209302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one (CID 16885514) is 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCCc4ccccc43)n2)cc1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The InChIKey is PIKMJIMONAHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-31-21-13-11-19(12-14-21)22-15-16-25(30)28(26-22)18-6-10-24(29)27-17-5-8-20-7-3-4-9-23(20)27/h3-4,7,9,11-16H,2,5-6,8,10,17-18H2,1H3.
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one has a molecular weight of 417.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 16885514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).