4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine

C22H20ClN3O — CID 87554292

IUPAC4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
SMILESClc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyQFBFRNKWBPIFBO-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.87
Rot. Bonds3

About 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine

4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine (PubChem CID 87554292) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
PubChem CID87554292
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
SMILESClc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12
InChIInChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25)
InChIKeyQFBFRNKWBPIFBO-UHFFFAOYSA-N
XLogP4.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
CID 66766090
N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
CID 66766243
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[[4-(2,3-dihydro-1H-indol-5-yl)phenyl]methyl]morpholine
CID 39233571
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
N-hydroxy-2-[8-[4-(morpholin-4-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,2-dihydropyrimidine-5-carboxamide
CID 143281028
4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine
CID 151938074
4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526507
N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline
CID 142367265

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine (CID 87554292) is 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine is Clc1ccc2c(n1)[nH]c1ccc(-c3ccc(CN4CCOCC4)cc3)cc12.
What is the InChIKey of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
The InChIKey is QFBFRNKWBPIFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-21-8-6-18-19-13-17(5-7-20(19)24-22(18)25-21)16-3-1-15(2-4-16)14-26-9-11-27-12-10-26/h1-8,13H,9-12,14H2,(H,24,25).
What are the key properties of 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine?
4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine has a molecular weight of 377.88 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 87554292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).