1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C21H26N4O — CID 50963546

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCn1cc(C2=CCN(CCC(=O)N3CCCc4ccccc43)CC2)cn1
InChIInChI=1S/C21H26N4O/c1-23-16-19(15-22-23)17-8-12-24(13-9-17)14-10-21(26)25-11-4-6-18-5-2-3-7-20(18)25/h2-3,5,7-8,15-16H,4,6,9-14H2,1H3
InChIKeyXRUAVLDLVJGHGX-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.88
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 50963546) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID50963546
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCn1cc(C2=CCN(CCC(=O)N3CCCc4ccccc43)CC2)cn1
InChIInChI=1S/C21H26N4O/c1-23-16-19(15-22-23)17-8-12-24(13-9-17)14-10-21(26)25-11-4-6-18-5-2-3-7-20(18)25/h2-3,5,7-8,15-16H,4,6,9-14H2,1H3
InChIKeyXRUAVLDLVJGHGX-UHFFFAOYSA-N
XLogP2.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one with MolForge

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Related Compounds

N-(3-acetamidophenyl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 50980552
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650634
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CID 56690048
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
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-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46358224
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 50963546) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is Cn1cc(C2=CCN(CCC(=O)N3CCCc4ccccc43)CC2)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is XRUAVLDLVJGHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-23-16-19(15-22-23)17-8-12-24(13-9-17)14-10-21(26)25-11-4-6-18-5-2-3-7-20(18)25/h2-3,5,7-8,15-16H,4,6,9-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 350.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 50963546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).