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

C21H21N3O2 — CID 2486537

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-2-13-24-20(25)17-11-5-4-10-16(17)19(22-24)21(26)23-14-7-9-15-8-3-6-12-18(15)23/h3-6,8,10-12H,2,7,9,13-14H2,1H3
InChIKeyNSEDGVUPXBVJAJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds3

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

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one (PubChem CID 2486537) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one
PubChem CID2486537
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one
SMILESCCCn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C21H21N3O2/c1-2-13-24-20(25)17-11-5-4-10-16(17)19(22-24)21(26)23-14-7-9-15-8-3-6-12-18(15)23/h3-6,8,10-12H,2,7,9,13-14H2,1H3
InChIKeyNSEDGVUPXBVJAJ-UHFFFAOYSA-N
XLogP3.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one (CID 2486537) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one is CCCn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one?
The InChIKey is NSEDGVUPXBVJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-13-24-20(25)17-11-5-4-10-16(17)19(22-24)21(26)23-14-7-9-15-8-3-6-12-18(15)23/h3-6,8,10-12H,2,7,9,13-14H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-propylphthalazin-1-one is sourced from PubChem (CID 2486537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).