[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate

C24H25N3O4 — CID 166203140

IUPAC[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCC(OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H25N3O4/c1-15-12-13-17-8-4-7-11-21(17)27(15)23(29)16(2)31-22(28)14-20-18-9-5-6-10-19(18)24(30)26(3)25-20/h4-11,15-16H,12-14H2,1-3H3
InChIKeyNRRHMBCVKMKIHQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.78
Rot. Bonds4

About [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate

[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate (PubChem CID 166203140) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Name[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
PubChem CID166203140
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCC(OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2CCC1C
InChIInChI=1S/C24H25N3O4/c1-15-12-13-17-8-4-7-11-21(17)27(15)23(29)16(2)31-22(28)14-20-18-9-5-6-10-19(18)24(30)26(3)25-20/h4-11,15-16H,12-14H2,1-3H3
InChIKeyNRRHMBCVKMKIHQ-UHFFFAOYSA-N
XLogP2.78
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 30368942
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958909
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7889550
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55375576
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-phenylacetate
CID 7874744
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958946
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 55481547
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958934
2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 112813162
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
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2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate (CID 166203140) is [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate is CC(OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2CCC1C.
What is the InChIKey of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is NRRHMBCVKMKIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-12-13-17-8-4-7-11-21(17)27(15)23(29)16(2)31-22(28)14-20-18-9-5-6-10-19(18)24(30)26(3)25-20/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
[1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 419.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 166203140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).