(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone

C28H29N3O3 — CID 71170206

IUPAC(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
SMILESCN1CCC(COc2ccc3[nH]c(C(=O)N4CCc5c4cc(O)c4ccccc54)cc3c2)CC1
InChIInChI=1S/C28H29N3O3/c1-30-11-8-18(9-12-30)17-34-20-6-7-24-19(14-20)15-25(29-24)28(33)31-13-10-22-21-4-2-3-5-23(21)27(32)16-26(22)31/h2-7,14-16,18,29,32H,8-13,17H2,1H3
InChIKeyASDKHXYEZPKOHZ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.95
Rot. Bonds4

About (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone

(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone (PubChem CID 71170206) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
PubChem CID71170206
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone
SMILESCN1CCC(COc2ccc3[nH]c(C(=O)N4CCc5c4cc(O)c4ccccc54)cc3c2)CC1
InChIInChI=1S/C28H29N3O3/c1-30-11-8-18(9-12-30)17-34-20-6-7-24-19(14-20)15-25(29-24)28(33)31-13-10-22-21-4-2-3-5-23(21)27(32)16-26(22)31/h2-7,14-16,18,29,32H,8-13,17H2,1H3
InChIKeyASDKHXYEZPKOHZ-UHFFFAOYSA-N
XLogP4.95
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone?
The IUPAC name of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone (CID 71170206) is (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone is CN1CCC(COc2ccc3[nH]c(C(=O)N4CCc5c4cc(O)c4ccccc54)cc3c2)CC1.
What is the InChIKey of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone?
The InChIKey is ASDKHXYEZPKOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-30-11-8-18(9-12-30)17-34-20-6-7-24-19(14-20)15-25(29-24)28(33)31-13-10-22-21-4-2-3-5-23(21)27(32)16-26(22)31/h2-7,14-16,18,29,32H,8-13,17H2,1H3.
What are the key properties of (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone?
(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone has a molecular weight of 455.56 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 71170206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).