4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine

C18H24ClN3O — CID 86634532

IUPAC4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine
SMILESCN1CCc2c(c3ccccc3n2CCN2CCOCC2)C1Cl
InChIInChI=1S/C18H24ClN3O/c1-20-7-6-16-17(18(20)19)14-4-2-3-5-15(14)22(16)9-8-21-10-12-23-13-11-21/h2-5,18H,6-13H2,1H3
InChIKeyJUFOPDCCPKPACL-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.70
Rot. Bonds3

About 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine

4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine (PubChem CID 86634532) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine
PubChem CID86634532
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine
SMILESCN1CCc2c(c3ccccc3n2CCN2CCOCC2)C1Cl
InChIInChI=1S/C18H24ClN3O/c1-20-7-6-16-17(18(20)19)14-4-2-3-5-15(14)22(16)9-8-21-10-12-23-13-11-21/h2-5,18H,6-13H2,1H3
InChIKeyJUFOPDCCPKPACL-UHFFFAOYSA-N
XLogP2.70
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine
CID 23149902
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carbonitrile
CID 10566218
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
CID 142227752
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
1,2-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759448
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
CID 10267337
2-benzyl-5-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 141304369
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine (CID 86634532) is 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine is CN1CCc2c(c3ccccc3n2CCN2CCOCC2)C1Cl.
What is the InChIKey of 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine?
The InChIKey is JUFOPDCCPKPACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-20-7-6-16-17(18(20)19)14-4-2-3-5-15(14)22(16)9-8-21-10-12-23-13-11-21/h2-5,18H,6-13H2,1H3.
What are the key properties of 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine?
4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine has a molecular weight of 333.86 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine is sourced from PubChem (CID 86634532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).