[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone

C32H32N6O3S — CID 155343644

IUPAC[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C32H32N6O3S/c39-31(36-13-4-1-5-14-36)25-19-28(32(40)37-15-10-22(11-16-37)38-17-12-33-21-38)34-26-9-8-23(18-24(25)26)41-20-30-35-27-6-2-3-7-29(27)42-30/h2-3,6-9,12,17-19,21-22H,1,4-5,10-11,13-16,20H2
InChIKeyMZYJGKYKSSEWJS-UHFFFAOYSA-N
MW580.71 g/mol
LogP5.72
Rot. Bonds6

About [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone

[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 155343644) has the molecular formula C32H32N6O3S and a molecular weight of 580.71 g/mol. Its IUPAC name is [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID155343644
Molecular FormulaC32H32N6O3S
Molecular Weight580.71 g/mol
Exact Mass580.23
IUPAC Name[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C32H32N6O3S/c39-31(36-13-4-1-5-14-36)25-19-28(32(40)37-15-10-22(11-16-37)38-17-12-33-21-38)34-26-9-8-23(18-24(25)26)41-20-30-35-27-6-2-3-7-29(27)42-30/h2-3,6-9,12,17-19,21-22H,1,4-5,10-11,13-16,20H2
InChIKeyMZYJGKYKSSEWJS-UHFFFAOYSA-N
XLogP5.72
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 164830110
[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2,2-difluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 167565090
1-[2-acetyl-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]ethanone
CID 155355496
3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 164830152
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26323256
ethyl 6-[(4-chlorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carboxylate
CID 155343635
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
CID 11233526
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
1-[7-(1,3-benzothiazol-2-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139802843
2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-benzoylpiperazin-1-yl)ethanone
CID 18112451
1-[6-[(4-fluoro-2-nitrophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 164830143

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone (CID 155343644) is [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone is O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MZYJGKYKSSEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3S/c39-31(36-13-4-1-5-14-36)25-19-28(32(40)37-15-10-22(11-16-37)38-17-12-33-21-38)34-26-9-8-23(18-24(25)26)41-20-30-35-27-6-2-3-7-29(27)42-30/h2-3,6-9,12,17-19,21-22H,1,4-5,10-11,13-16,20H2.
What are the key properties of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 580.71 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-imidazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 155343644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).