9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole

C24H25N3O — CID 155678411

IUPAC9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2Cc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H25N3O/c1-2-8-23-21(6-1)22-7-5-13-25-24(22)27(23)18-19-9-11-20(12-10-19)28-17-16-26-14-3-4-15-26/h1-2,5-13H,3-4,14-18H2
InChIKeyVGSZDOGJXPKSBO-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.71
Rot. Bonds6

About 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole

9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole (PubChem CID 155678411) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
PubChem CID155678411
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2Cc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C24H25N3O/c1-2-8-23-21(6-1)22-7-5-13-25-24(22)27(23)18-19-9-11-20(12-10-19)28-17-16-26-14-3-4-15-26/h1-2,5-13H,3-4,14-18H2
InChIKeyVGSZDOGJXPKSBO-UHFFFAOYSA-N
XLogP4.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
CID 140981808
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
CID 18593135
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
CID 175600849

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole (CID 155678411) is 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2Cc1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole?
The InChIKey is VGSZDOGJXPKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-8-23-21(6-1)22-7-5-13-25-24(22)27(23)18-19-9-11-20(12-10-19)28-17-16-26-14-3-4-15-26/h1-2,5-13H,3-4,14-18H2.
What are the key properties of 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole?
9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole has a molecular weight of 371.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole is sourced from PubChem (CID 155678411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).