8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H25ClN2O — CID 142759363

IUPAC8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cc(Cl)ccc3n2CCOc2ccccc2)C(C)N1C
InChIInChI=1S/C22H25ClN2O/c1-15-13-21-22(16(2)24(15)3)19-14-17(23)9-10-20(19)25(21)11-12-26-18-7-5-4-6-8-18/h4-10,14-16H,11-13H2,1-3H3
InChIKeyJOKAXLAUEBMWCC-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.31
Rot. Bonds4

About 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759363) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759363
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cc(Cl)ccc3n2CCOc2ccccc2)C(C)N1C
InChIInChI=1S/C22H25ClN2O/c1-15-13-21-22(16(2)24(15)3)19-14-17(23)9-10-20(19)25(21)11-12-26-18-7-5-4-6-8-18/h4-10,14-16H,11-13H2,1-3H3
InChIKeyJOKAXLAUEBMWCC-UHFFFAOYSA-N
XLogP5.31
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-tetramethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759527
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759561
5-methoxy-15-methyl-9-(2-phenoxyethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759562
1,2-dimethyl-8-methylsulfonyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759262
1,2,3-trimethyl-5-(2-naphthalen-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759216
1,2,3,8-tetramethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759440
2-chloro-10-(3-phenoxypropyl)acridin-9-one
CID 139792441
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
5-chloro-15-methyl-9-propyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 143870028
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759060

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759363) is 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CC1Cc2c(c3cc(Cl)ccc3n2CCOc2ccccc2)C(C)N1C.
What is the InChIKey of 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is JOKAXLAUEBMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-15-13-21-22(16(2)24(15)3)19-14-17(23)9-10-20(19)25(21)11-12-26-18-7-5-4-6-8-18/h4-10,14-16H,11-13H2,1-3H3.
What are the key properties of 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 368.91 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).