4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide

C24H28ClN3O2 — CID 174646471

IUPAC4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(CC(N)=O)C(C)n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C24H28ClN3O2/c1-15(19(13-24(26)29)16-4-7-18(30-3)8-5-16)28-22-9-6-17(25)12-20(22)21-14-27(2)11-10-23(21)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H2,26,29)
InChIKeyBHGLNGYFZDRYFT-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.51
Rot. Bonds6

About 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide

4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide (PubChem CID 174646471) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide
PubChem CID174646471
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(C(CC(N)=O)C(C)n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C24H28ClN3O2/c1-15(19(13-24(26)29)16-4-7-18(30-3)8-5-16)28-22-9-6-17(25)12-20(22)21-14-27(2)11-10-23(21)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H2,26,29)
InChIKeyBHGLNGYFZDRYFT-UHFFFAOYSA-N
XLogP4.51
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide 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 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide?
The IUPAC name of 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide (CID 174646471) is 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide?
The canonical SMILES for 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide is COc1ccc(C(CC(N)=O)C(C)n2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide?
The InChIKey is BHGLNGYFZDRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-15(19(13-24(26)29)16-4-7-18(30-3)8-5-16)28-22-9-6-17(25)12-20(22)21-14-27(2)11-10-23(21)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H2,26,29).
What are the key properties of 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide?
4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide has a molecular weight of 425.96 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 174646471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).