6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one

C21H23FN4O3 — CID 97276651

IUPAC6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOCCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)C1
InChIInChI=1S/C21H23FN4O3/c1-29-10-9-25-8-6-23-20(25)14-3-2-7-26(13-14)21(28)17-12-24-18-5-4-15(22)11-16(18)19(17)27/h4-6,8,11-12,14H,2-3,7,9-10,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyFJQFILMQULNGFH-CQSZACIVSA-N
MW398.44 g/mol
LogP2.53
Rot. Bonds5

About 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one

6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 97276651) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID97276651
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOCCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)C1
InChIInChI=1S/C21H23FN4O3/c1-29-10-9-25-8-6-23-20(25)14-3-2-7-26(13-14)21(28)17-12-24-18-5-4-15(22)11-16(18)19(17)27/h4-6,8,11-12,14H,2-3,7,9-10,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyFJQFILMQULNGFH-CQSZACIVSA-N
XLogP2.53
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
(5-chloro-3-methyl-1H-indol-2-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97279210
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97207431
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
(1,7-dimethylindol-2-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148687

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one (CID 97276651) is 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one is COCCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)C1.
What is the InChIKey of 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is FJQFILMQULNGFH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-29-10-9-25-8-6-23-20(25)14-3-2-7-26(13-14)21(28)17-12-24-18-5-4-15(22)11-16(18)19(17)27/h4-6,8,11-12,14H,2-3,7,9-10,13H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one?
6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 398.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 97276651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).