(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone

C20H16F2N2O — CID 70738729

IUPAC(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC2c2ccc(F)cc2)c2ccc(F)cc2n1
InChIInChI=1S/C20H16F2N2O/c1-12-10-17(16-7-6-15(22)11-18(16)23-12)20(25)24-9-8-19(24)13-2-4-14(21)5-3-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyYJUXLLZQIZRZBV-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.41
Rot. Bonds2

About (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone

(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 70738729) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
PubChem CID70738729
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC2c2ccc(F)cc2)c2ccc(F)cc2n1
InChIInChI=1S/C20H16F2N2O/c1-12-10-17(16-7-6-15(22)11-18(16)23-12)20(25)24-9-8-19(24)13-2-4-14(21)5-3-13/h2-7,10-11,19H,8-9H2,1H3
InChIKeyYJUXLLZQIZRZBV-UHFFFAOYSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 96574367
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
(3S)-2-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95044684
[(3aR,4S,6aS)-4-(4-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone;hydrochloride
CID 171711942
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone (CID 70738729) is (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone is Cc1cc(C(=O)N2CCC2c2ccc(F)cc2)c2ccc(F)cc2n1.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is YJUXLLZQIZRZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-12-10-17(16-7-6-15(22)11-18(16)23-12)20(25)24-9-8-19(24)13-2-4-14(21)5-3-13/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone?
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 338.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 70738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).