1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol

C24H31N5O2S — CID 70823321

IUPAC1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCOc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C24H31N5O2S/c1-31-21-6-5-18-4-2-9-25-22(18)23(21)28-11-3-10-27(14-15-28)16-19-17-32-24(26-19)29-12-7-20(30)8-13-29/h2,4-6,9,17,20,30H,3,7-8,10-16H2,1H3
InChIKeyQPTMVGDUCZPZBH-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol

1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol (PubChem CID 70823321) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
PubChem CID70823321
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC Name1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCOc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C24H31N5O2S/c1-31-21-6-5-18-4-2-9-25-22(18)23(21)28-11-3-10-27(14-15-28)16-19-17-32-24(26-19)29-12-7-20(30)8-13-29/h2,4-6,9,17,20,30H,3,7-8,10-16H2,1H3
InChIKeyQPTMVGDUCZPZBH-UHFFFAOYSA-N
XLogP3.37
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol with MolForge

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Related Compounds

1-[4-[[4-(7-methyl-6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 70823584
(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol
CID 70823549
3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propanoic acid
CID 59366189
4-[[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-piperidin-1-yl-1,3-thiazole
CID 70809648
2-cyclopentyl-1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]ethanone
CID 70893779
4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-2-phenyl-4,5-dihydro-1,3-thiazole
CID 163878150
methyl 4-[6-methyl-8-[4-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxybutanoate
CID 70893885
tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate
CID 46206314
cyclopentyl-[(3S)-3-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]methanone
CID 70893778
2-[6-methyl-8-[4-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]quinolin-7-yl]oxy-1-piperidin-1-ylethanone
CID 46202766
4-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-pyrrolidin-1-ylpropyl]-2-propan-2-yl-1,3-thiazole
CID 46204060
4-[4-[3-(3,3-difluoropyrrolidin-1-yl)-1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propyl]-1,3-thiazol-2-yl]morpholine
CID 70893908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol (CID 70823321) is 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol is COc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1.
What is the InChIKey of 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The InChIKey is QPTMVGDUCZPZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-31-21-6-5-18-4-2-9-25-22(18)23(21)28-11-3-10-27(14-15-28)16-19-17-32-24(26-19)29-12-7-20(30)8-13-29/h2,4-6,9,17,20,30H,3,7-8,10-16H2,1H3.
What are the key properties of 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol has a molecular weight of 453.61 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 70823321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).