(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone

C20H20N4O — CID 95898778

IUPAC(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c(C)n1
InChIInChI=1S/C20H20N4O/c1-14-8-9-18(15(2)22-14)20(25)23-13-17(24-11-5-10-21-24)12-16-6-3-4-7-19(16)23/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyYRNSGUJLJUFBOX-KRWDZBQOSA-N
MW332.41 g/mol
LogP3.34
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone

(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 95898778) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID95898778
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c(C)n1
InChIInChI=1S/C20H20N4O/c1-14-8-9-18(15(2)22-14)20(25)23-13-17(24-11-5-10-21-24)12-16-6-3-4-7-19(16)23/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1
InChIKeyYRNSGUJLJUFBOX-KRWDZBQOSA-N
XLogP3.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71869146
3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
CID 95898776
1-[1-methyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]pyrrol-3-yl]ethanone
CID 124607429
ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 96517692
(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(thiolan-2-yl)methanone
CID 71925994
2,2-difluoro-2-(3-methyl-2-pyridinyl)-1-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 166435948
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95762876
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
CID 95327955
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 100710098
(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71987114
1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902381

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 95898778) is (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is YRNSGUJLJUFBOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-9-18(15(2)22-14)20(25)23-13-17(24-11-5-10-21-24)12-16-6-3-4-7-19(16)23/h3-11,17H,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 95898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).