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

C24H31N5OS — CID 70823493

IUPAC1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C24H31N5OS/c1-18-5-6-19-4-2-9-25-22(19)23(18)28-11-3-10-27(14-15-28)16-20-17-31-24(26-20)29-12-7-21(30)8-13-29/h2,4-6,9,17,21,30H,3,7-8,10-16H2,1H3
InChIKeyVIQHFUXGDWQNTJ-UHFFFAOYSA-N
MW437.61 g/mol
LogP3.67
Rot. Bonds4

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

1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol (PubChem CID 70823493) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
PubChem CID70823493
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Name1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
SMILESCc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1
InChIInChI=1S/C24H31N5OS/c1-18-5-6-19-4-2-9-25-22(19)23(18)28-11-3-10-27(14-15-28)16-20-17-31-24(26-20)29-12-7-21(30)8-13-29/h2,4-6,9,17,21,30H,3,7-8,10-16H2,1H3
InChIKeyVIQHFUXGDWQNTJ-UHFFFAOYSA-N
XLogP3.67
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol (CID 70823493) is 1-[4-[[4-(7-methylquinolin-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-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol is Cc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1.
What is the InChIKey of 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
The InChIKey is VIQHFUXGDWQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-18-5-6-19-4-2-9-25-22(19)23(18)28-11-3-10-27(14-15-28)16-20-17-31-24(26-20)29-12-7-21(30)8-13-29/h2,4-6,9,17,21,30H,3,7-8,10-16H2,1H3.
What are the key properties of 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol?
1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol has a molecular weight of 437.61 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 70823493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).