4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one

C25H21N3O3 — CID 3711758

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccccc1-n1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C25H21N3O3/c1-31-22-15-7-6-14-21(22)28-24(29)19-12-4-3-11-18(19)23(26-28)25(30)27-16-8-10-17-9-2-5-13-20(17)27/h2-7,9,11-15H,8,10,16H2,1H3
InChIKeyIAXIUUVUOKWBTA-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.99
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one (PubChem CID 3711758) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
PubChem CID3711758
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccccc1-n1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C25H21N3O3/c1-31-22-15-7-6-14-21(22)28-24(29)19-12-4-3-11-18(19)23(26-28)25(30)27-16-8-10-17-9-2-5-13-20(17)27/h2-7,9,11-15H,8,10,16H2,1H3
InChIKeyIAXIUUVUOKWBTA-UHFFFAOYSA-N
XLogP3.99
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one (CID 3711758) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one is COc1ccccc1-n1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one?
The InChIKey is IAXIUUVUOKWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-31-22-15-7-6-14-21(22)28-24(29)19-12-4-3-11-18(19)23(26-28)25(30)27-16-8-10-17-9-2-5-13-20(17)27/h2-7,9,11-15H,8,10,16H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one has a molecular weight of 411.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one is sourced from PubChem (CID 3711758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).