(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone

C19H17N3O2 — CID 119068199

IUPAC(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CC(c3ccncc3)C2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-24-18-10-16(15-4-2-3-5-17(15)21-18)19(23)22-11-14(12-22)13-6-8-20-9-7-13/h2-10,14H,11-12H2,1H3
InChIKeyJFUNVAKFSRWTKQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.88
Rot. Bonds3

About (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone

(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone (PubChem CID 119068199) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
PubChem CID119068199
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CC(c3ccncc3)C2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2/c1-24-18-10-16(15-4-2-3-5-17(15)21-18)19(23)22-11-14(12-22)13-6-8-20-9-7-13/h2-10,14H,11-12H2,1H3
InChIKeyJFUNVAKFSRWTKQ-UHFFFAOYSA-N
XLogP2.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134711872
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
(2-methoxyquinolin-4-yl)-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]azetidin-1-yl]methanone
CID 167778768
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553897
(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098
(2,2-dimethyl-1,4-oxazepan-4-yl)-(2-methoxyquinolin-4-yl)methanone
CID 138034545
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973940

Frequently Asked Questions

What is the IUPAC name of (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone?
The IUPAC name of (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone (CID 119068199) is (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone is COc1cc(C(=O)N2CC(c3ccncc3)C2)c2ccccc2n1.
What is the InChIKey of (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone?
The InChIKey is JFUNVAKFSRWTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-18-10-16(15-4-2-3-5-17(15)21-18)19(23)22-11-14(12-22)13-6-8-20-9-7-13/h2-10,14H,11-12H2,1H3.
What are the key properties of (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone?
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone has a molecular weight of 319.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 119068199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).