[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone

C30H23ClFN7O2S — CID 166344928

IUPAC[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1CCC(c2cc(Cn3cc(-c4nc(Cl)cs4)nn3)on2)CC1
InChIInChI=1S/C30H23ClFN7O2S/c31-28-17-42-29(34-28)27-16-39(37-35-27)15-21-13-25(36-41-21)19-8-10-38(11-9-19)30(40)23-14-24(18-4-2-1-3-5-18)33-26-12-20(32)6-7-22(23)26/h1-7,12-14,16-17,19H,8-11,15H2
InChIKeyQGBLBNIJKMBPOM-UHFFFAOYSA-N
MW600.08 g/mol
LogP6.47
Rot. Bonds6

About [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone

[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone (PubChem CID 166344928) has the molecular formula C30H23ClFN7O2S and a molecular weight of 600.08 g/mol. Its IUPAC name is [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
PubChem CID166344928
Molecular FormulaC30H23ClFN7O2S
Molecular Weight600.08 g/mol
Exact Mass599.13
IUPAC Name[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1CCC(c2cc(Cn3cc(-c4nc(Cl)cs4)nn3)on2)CC1
InChIInChI=1S/C30H23ClFN7O2S/c31-28-17-42-29(34-28)27-16-39(37-35-27)15-21-13-25(36-41-21)19-8-10-38(11-9-19)30(40)23-14-24(18-4-2-1-3-5-18)33-26-12-20(32)6-7-22(23)26/h1-7,12-14,16-17,19H,8-11,15H2
InChIKeyQGBLBNIJKMBPOM-UHFFFAOYSA-N
XLogP6.47
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-(7-fluoro-2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 124610758
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone
CID 120655430
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
CID 52693143
tert-butyl 7-[1-[[3-[1-[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidin-4-yl]-1,2-oxazol-5-yl]methyl]triazol-4-yl]-2,3-dihydroindole-1-carboxylate
CID 166352100
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
[7-fluoro-2-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-4-yl]-thiomorpholin-4-ylmethanone
CID 29024640
1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599949

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone?
The IUPAC name of [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone (CID 166344928) is [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1CCC(c2cc(Cn3cc(-c4nc(Cl)cs4)nn3)on2)CC1.
What is the InChIKey of [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone?
The InChIKey is QGBLBNIJKMBPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClFN7O2S/c31-28-17-42-29(34-28)27-16-39(37-35-27)15-21-13-25(36-41-21)19-8-10-38(11-9-19)30(40)23-14-24(18-4-2-1-3-5-18)33-26-12-20(32)6-7-22(23)26/h1-7,12-14,16-17,19H,8-11,15H2.
What are the key properties of [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone?
[4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone has a molecular weight of 600.08 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[4-(4-chloro-1,3-thiazol-2-yl)triazol-1-yl]methyl]-1,2-oxazol-3-yl]piperidin-1-yl]-(7-fluoro-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 166344928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).