1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone

C24H25ClN2O2 — CID 11632889

IUPAC1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
SMILESCC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C24H25ClN2O2/c1-14(2)29-20-12-16(25)8-9-18(20)23-22-21(17-6-4-5-7-19(17)26-22)24(10-11-24)13-27(23)15(3)28/h4-9,12,14,23,26H,10-11,13H2,1-3H3
InChIKeySIKGIUPBXHJPEA-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.59
Rot. Bonds3

About 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone

1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone (PubChem CID 11632889) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
PubChem CID11632889
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
SMILESCC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1ccc(Cl)cc1OC(C)C
InChIInChI=1S/C24H25ClN2O2/c1-14(2)29-20-12-16(25)8-9-18(20)23-22-21(17-6-4-5-7-19(17)26-22)24(10-11-24)13-27(23)15(3)28/h4-9,12,14,23,26H,10-11,13H2,1-3H3
InChIKeySIKGIUPBXHJPEA-UHFFFAOYSA-N
XLogP5.59
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone?
The IUPAC name of 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone (CID 11632889) is 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone is CC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1ccc(Cl)cc1OC(C)C.
What is the InChIKey of 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone?
The InChIKey is SIKGIUPBXHJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-14(2)29-20-12-16(25)8-9-18(20)23-22-21(17-6-4-5-7-19(17)26-22)24(10-11-24)13-27(23)15(3)28/h4-9,12,14,23,26H,10-11,13H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone?
1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone has a molecular weight of 408.93 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-propan-2-yloxyphenyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone is sourced from PubChem (CID 11632889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).