indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C30H28N2O2 — CID 139932264

IUPACindolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1ccc2ccn3c4ccccc4cc3c2c1
InChIInChI=1S/C30H28N2O2/c33-30(23-10-12-26(13-11-23)34-19-18-31-15-4-1-5-16-31)25-9-8-22-14-17-32-28-7-3-2-6-24(28)21-29(32)27(22)20-25/h2-3,6-14,17,20-21H,1,4-5,15-16,18-19H2
InChIKeyZCBUWVWCSIMPKW-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.34
Rot. Bonds6

About indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 139932264) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Nameindolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID139932264
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Nameindolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1ccc2ccn3c4ccccc4cc3c2c1
InChIInChI=1S/C30H28N2O2/c33-30(23-10-12-26(13-11-23)34-19-18-31-15-4-1-5-16-31)25-9-8-22-14-17-32-28-7-3-2-6-24(28)21-29(32)27(22)20-25/h2-3,6-14,17,20-21H,1,4-5,15-16,18-19H2
InChIKeyZCBUWVWCSIMPKW-UHFFFAOYSA-N
XLogP6.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]naphthalen-2-yl]methanone
CID 10840369
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
[4-(2-piperidin-1-ylethoxy)phenyl]-thiophen-3-ylmethanone;hydrochloride
CID 22070931
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
[4-(2-piperidin-1-ylethoxy)phenyl]-(2-pyrrolidin-1-yl-1-benzothiophen-3-yl)methanone
CID 15435112
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858

Frequently Asked Questions

What is the IUPAC name of indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 139932264) is indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)c1ccc2ccn3c4ccccc4cc3c2c1.
What is the InChIKey of indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is ZCBUWVWCSIMPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c33-30(23-10-12-26(13-11-23)34-19-18-31-15-4-1-5-16-31)25-9-8-22-14-17-32-28-7-3-2-6-24(28)21-29(32)27(22)20-25/h2-3,6-14,17,20-21H,1,4-5,15-16,18-19H2.
What are the key properties of indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 448.57 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for indolo[2,1-a]isoquinolin-2-yl-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 139932264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).