1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol

C29H34ClN3O — CID 142594451

IUPAC1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)c1c(-c2cc(Cl)c3ncccc3c2)[nH]c2ccc(C3CCN(CC(C)(C)O)CC3)cc12
InChIInChI=1S/C29H34ClN3O/c1-18(2)26-23-15-20(19-9-12-33(13-10-19)17-29(3,4)34)7-8-25(23)32-28(26)22-14-21-6-5-11-31-27(21)24(30)16-22/h5-8,11,14-16,18-19,32,34H,9-10,12-13,17H2,1-4H3
InChIKeyGPIBJHFBVNGQNL-UHFFFAOYSA-N
MW476.06 g/mol
LogP7.11
Rot. Bonds5

About 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol

1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 142594451) has the molecular formula C29H34ClN3O and a molecular weight of 476.06 g/mol. Its IUPAC name is 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID142594451
Molecular FormulaC29H34ClN3O
Molecular Weight476.06 g/mol
Exact Mass475.24
IUPAC Name1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)c1c(-c2cc(Cl)c3ncccc3c2)[nH]c2ccc(C3CCN(CC(C)(C)O)CC3)cc12
InChIInChI=1S/C29H34ClN3O/c1-18(2)26-23-15-20(19-9-12-33(13-10-19)17-29(3,4)34)7-8-25(23)32-28(26)22-14-21-6-5-11-31-27(21)24(30)16-22/h5-8,11,14-16,18-19,32,34H,9-10,12-13,17H2,1-4H3
InChIKeyGPIBJHFBVNGQNL-UHFFFAOYSA-N
XLogP7.11
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.06
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol (CID 142594451) is 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is CC(C)c1c(-c2cc(Cl)c3ncccc3c2)[nH]c2ccc(C3CCN(CC(C)(C)O)CC3)cc12.
What is the InChIKey of 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is GPIBJHFBVNGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN3O/c1-18(2)26-23-15-20(19-9-12-33(13-10-19)17-29(3,4)34)7-8-25(23)32-28(26)22-14-21-6-5-11-31-27(21)24(30)16-22/h5-8,11,14-16,18-19,32,34H,9-10,12-13,17H2,1-4H3.
What are the key properties of 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 476.06 g/mol, XLogP of 7.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(8-chloroquinolin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 142594451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).