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

C24H31N5OS — CID 70823549

IUPAC(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol
SMILESCc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC[C@@H](O)C3)n2)CC1
InChIInChI=1S/C24H31N5OS/c1-18-7-8-19-5-2-9-25-22(19)23(18)28-12-4-10-27(13-14-28)15-20-17-31-24(26-20)29-11-3-6-21(30)16-29/h2,5,7-9,17,21,30H,3-4,6,10-16H2,1H3/t21-/m1/s1
InChIKeyJNGNTYNJNQYLRO-OAQYLSRUSA-N
MW437.61 g/mol
LogP3.67
Rot. Bonds4

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

(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol (PubChem CID 70823549) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol
PubChem CID70823549
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Name(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol
SMILESCc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC[C@@H](O)C3)n2)CC1
InChIInChI=1S/C24H31N5OS/c1-18-7-8-19-5-2-9-25-22(19)23(18)28-12-4-10-27(13-14-28)15-20-17-31-24(26-20)29-11-3-6-21(30)16-29/h2,5,7-9,17,21,30H,3-4,6,10-16H2,1H3/t21-/m1/s1
InChIKeyJNGNTYNJNQYLRO-OAQYLSRUSA-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

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

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Launch Full Analysis

Related Compounds

1-[4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 70823321
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
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
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
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
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
3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46203725
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
(6S)-1-benzyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-1,4-diazepan-6-ol
CID 100599650

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol (CID 70823549) is (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol is Cc1ccc2cccnc2c1N1CCCN(Cc2csc(N3CCC[C@@H](O)C3)n2)CC1.
What is the InChIKey of (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol?
The InChIKey is JNGNTYNJNQYLRO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-18-7-8-19-5-2-9-25-22(19)23(18)28-12-4-10-27(13-14-28)15-20-17-31-24(26-20)29-11-3-6-21(30)16-29/h2,5,7-9,17,21,30H,3-4,6,10-16H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol?
(3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-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 (3R)-1-[4-[[4-(7-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 70823549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).