3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one

C19H19N5O2 — CID 95898776

IUPAC3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(25)17(12)19(26)23-11-15(24-9-5-8-20-24)10-14-6-3-4-7-16(14)23/h3-9,15H,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyCOWSTCHMZWILEV-HNNXBMFYSA-N
MW349.39 g/mol
LogP2.03
Rot. Bonds2

About 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one

3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 95898776) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
PubChem CID95898776
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C
InChIInChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(25)17(12)19(26)23-11-15(24-9-5-8-20-24)10-14-6-3-4-7-16(14)23/h3-9,15H,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyCOWSTCHMZWILEV-HNNXBMFYSA-N
XLogP2.03
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one with MolForge

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71869146
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 95898778
ethyl 2,4-dimethyl-5-[(3R)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 96517692
1-[1-methyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]pyrrol-3-yl]ethanone
CID 124607429
(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
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
CID 126900137
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)propan-1-one
CID 95327955
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 100710098
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 167802031

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one (CID 95898776) is 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)c1C.
What is the InChIKey of 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is COWSTCHMZWILEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-13(2)21-22-18(25)17(12)19(26)23-11-15(24-9-5-8-20-24)10-14-6-3-4-7-16(14)23/h3-9,15H,10-11H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one?
3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 349.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 95898776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).