[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone

C22H22FN3O2 — CID 53001502

IUPAC[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1
InChIInChI=1S/C22H22FN3O2/c1-28-17-7-5-6-16(13-17)25-21-18-12-15(23)8-9-20(18)24-14-19(21)22(27)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,25)
InChIKeyNMBIJUSKXAZQBK-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.75
Rot. Bonds4

About [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone

[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53001502) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID53001502
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1
InChIInChI=1S/C22H22FN3O2/c1-28-17-7-5-6-16(13-17)25-21-18-12-15(23)8-9-20(18)24-14-19(21)22(27)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,25)
InChIKeyNMBIJUSKXAZQBK-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-fluoro-4-(3-fluoroanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001564
[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53334001
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
4-(4-fluoroanilino)-6-methoxyquinoline-3-carboxylic acid
CID 7137766
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53333974
[7-(3-methoxyanilino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 68867211
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
[4-[(3-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone (CID 53001502) is [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone is COc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1.
What is the InChIKey of [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is NMBIJUSKXAZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-17-7-5-6-16(13-17)25-21-18-12-15(23)8-9-20(18)24-14-19(21)22(27)26-10-3-2-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,25).
What are the key properties of [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone?
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 379.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53001502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).