(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone

C24H22N4O2 — CID 137490309

IUPAC(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone
SMILESCOC1CN(C(=O)c2ccc3nccc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1
InChIInChI=1S/C24H22N4O2/c1-27-13-19(12-26-27)16-3-5-17(6-4-16)21-9-10-25-23-8-7-18(11-22(21)23)24(29)28-14-20(15-28)30-2/h3-13,20H,14-15H2,1-2H3
InChIKeyXLRUWRFPSUPBIS-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.77
Rot. Bonds4

About (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone

(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone (PubChem CID 137490309) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone
PubChem CID137490309
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone
SMILESCOC1CN(C(=O)c2ccc3nccc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1
InChIInChI=1S/C24H22N4O2/c1-27-13-19(12-26-27)16-3-5-17(6-4-16)21-9-10-25-23-8-7-18(11-22(21)23)24(29)28-14-20(15-28)30-2/h3-13,20H,14-15H2,1-2H3
InChIKeyXLRUWRFPSUPBIS-UHFFFAOYSA-N
XLogP3.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]isoquinolin-6-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660876
4-[6-(pyrrolidine-1-carbonyl)quinolin-4-yl]benzoic acid
CID 142527633
(2-bromo-4-pyridinyl)-(3-methoxyazetidin-1-yl)methanone
CID 130162420
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]-(azetidin-1-yl)methanone
CID 118660637
(3-amino-4-methoxyphenyl)-[3-[4-(1-methylpyrazol-4-yl)phenyl]azetidin-1-yl]methanone
CID 118144169
(3-fluoro-3-methylazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]methanone
CID 118660824
1-(4-methoxyphenyl)-2-[2-methyl-5-[3-[4-(1-methylpyrazol-4-yl)phenyl]azetidine-1-carbonyl]phenyl]ethanone
CID 160520409
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
CID 90616401
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
5-[1-amino-6-(3-methoxyazetidine-1-carbonyl)isoquinolin-4-yl]-1-methyl-3H-indol-2-one
CID 118660831
N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
CID 142527646

Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone?
The IUPAC name of (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone (CID 137490309) is (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone.
What is the SMILES notation for (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone?
The canonical SMILES for (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone is COC1CN(C(=O)c2ccc3nccc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1.
What is the InChIKey of (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone?
The InChIKey is XLRUWRFPSUPBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-27-13-19(12-26-27)16-3-5-17(6-4-16)21-9-10-25-23-8-7-18(11-22(21)23)24(29)28-14-20(15-28)30-2/h3-13,20H,14-15H2,1-2H3.
What are the key properties of (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone?
(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone is sourced from PubChem (CID 137490309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).