8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H27ClN2 — CID 142759060

IUPAC8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCCc3ccccc3)c3ccc(Cl)cc23)CC1C
InChIInChI=1S/C23H27ClN2/c1-3-25-16-21-20-15-19(24)11-12-22(20)26(23(21)14-17(25)2)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,15,17H,3,7,10,13-14,16H2,1-2H3
InChIKeyBHCROAUXLWMFRQ-UHFFFAOYSA-N
MW366.94 g/mol
LogP5.69
Rot. Bonds5

About 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759060) has the molecular formula C23H27ClN2 and a molecular weight of 366.94 g/mol. Its IUPAC name is 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759060
Molecular FormulaC23H27ClN2
Molecular Weight366.94 g/mol
Exact Mass366.19
IUPAC Name8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCCc3ccccc3)c3ccc(Cl)cc23)CC1C
InChIInChI=1S/C23H27ClN2/c1-3-25-16-21-20-15-19(24)11-12-22(20)26(23(21)14-17(25)2)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,15,17H,3,7,10,13-14,16H2,1-2H3
InChIKeyBHCROAUXLWMFRQ-UHFFFAOYSA-N
XLogP5.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.94
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2-ethyl-3-methyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759098
2-ethyl-3,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030754
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302
2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759617
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318
8-chloro-3-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 91315071
2-ethyl-3,6-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030938
2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029742
8-methoxy-1,2,3-trimethyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759561
2-ethyl-3,6-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759480
2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-3-ol
CID 141242897
6-chloro-1-ethyl-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]quinolin-2-one
CID 142842609

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759060) is 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CCN1Cc2c(n(CCCc3ccccc3)c3ccc(Cl)cc23)CC1C.
What is the InChIKey of 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is BHCROAUXLWMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2/c1-3-25-16-21-20-15-19(24)11-12-22(20)26(23(21)14-17(25)2)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,15,17H,3,7,10,13-14,16H2,1-2H3.
What are the key properties of 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 366.94 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).