1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one

C20H26N4O — CID 50958802

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCCc2ccccc21)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C20H26N4O/c1-23(14-18-16-8-4-9-17(16)21-22-18)13-11-20(25)24-12-5-7-15-6-2-3-10-19(15)24/h2-3,6,10H,4-5,7-9,11-14H2,1H3,(H,21,22)
InChIKeyCJOHCTWXUQOOIL-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.70
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one (PubChem CID 50958802) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
PubChem CID50958802
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCCc2ccccc21)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C20H26N4O/c1-23(14-18-16-8-4-9-17(16)21-22-18)13-11-20(25)24-12-5-7-15-6-2-3-10-19(15)24/h2-3,6,10H,4-5,7-9,11-14H2,1H3,(H,21,22)
InChIKeyCJOHCTWXUQOOIL-UHFFFAOYSA-N
XLogP2.70
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110606086
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
4-[3,4-dihydro-2H-quinoline-1-carbonyl(methyl)amino]butanoic acid
CID 43329794

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one (CID 50958802) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one is CN(CCC(=O)N1CCCc2ccccc21)Cc1n[nH]c2c1CCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one?
The InChIKey is CJOHCTWXUQOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(14-18-16-8-4-9-17(16)21-22-18)13-11-20(25)24-12-5-7-15-6-2-3-10-19(15)24/h2-3,6,10H,4-5,7-9,11-14H2,1H3,(H,21,22).
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one has a molecular weight of 338.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 50958802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).