[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone

C25H21FN2O2 — CID 176503487

IUPAC[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc3c(-c4cnc5cc(F)ccc5c4)cccc23)C1
InChIInChI=1S/C25H21FN2O2/c1-30-19-10-11-28(15-19)25(29)23-7-3-5-21-20(4-2-6-22(21)23)17-12-16-8-9-18(26)13-24(16)27-14-17/h2-9,12-14,19H,10-11,15H2,1H3
InChIKeyCTMHHKRRLJKFOS-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.05
Rot. Bonds3

About [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone

[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 176503487) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID176503487
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc3c(-c4cnc5cc(F)ccc5c4)cccc23)C1
InChIInChI=1S/C25H21FN2O2/c1-30-19-10-11-28(15-19)25(29)23-7-3-5-21-20(4-2-6-22(21)23)17-12-16-8-9-18(26)13-24(16)27-14-17/h2-9,12-14,19H,10-11,15H2,1H3
InChIKeyCTMHHKRRLJKFOS-UHFFFAOYSA-N
XLogP5.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532722
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
4,5-difluoro-2-(3-methoxypyrrolidine-1-carbonyl)benzoic acid
CID 103531290
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
[(3S)-3-aminopyrrolidin-1-yl]-[5-(3,5-difluoro-2-methoxyphenyl)naphthalen-1-yl]methanone;hydrochloride
CID 172910445
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
(2-fluoro-5-nitrophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532712
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701

Frequently Asked Questions

What is the IUPAC name of [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 176503487) is [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cccc3c(-c4cnc5cc(F)ccc5c4)cccc23)C1.
What is the InChIKey of [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is CTMHHKRRLJKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-30-19-10-11-28(15-19)25(29)23-7-3-5-21-20(4-2-6-22(21)23)17-12-16-8-9-18(26)13-24(16)27-14-17/h2-9,12-14,19H,10-11,15H2,1H3.
What are the key properties of [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 400.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7-fluoroquinolin-3-yl)naphthalen-1-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 176503487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).