N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide

C24H28ClN3O2 — CID 142583135

IUPACN-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CN(Cc2ccccc2Cl)Cc2[nH]c3cc(OC)ccc3c21
InChIInChI=1S/C24H28ClN3O2/c1-4-23(29)27(2)12-17-14-28(13-16-7-5-6-8-20(16)25)15-22-24(17)19-10-9-18(30-3)11-21(19)26-22/h5-11,17,26H,4,12-15H2,1-3H3
InChIKeyUYODXQGLXLEIGY-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.80
Rot. Bonds6

About N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide

N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide (PubChem CID 142583135) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide
PubChem CID142583135
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CN(Cc2ccccc2Cl)Cc2[nH]c3cc(OC)ccc3c21
InChIInChI=1S/C24H28ClN3O2/c1-4-23(29)27(2)12-17-14-28(13-16-7-5-6-8-20(16)25)15-22-24(17)19-10-9-18(30-3)11-21(19)26-22/h5-11,17,26H,4,12-15H2,1-3H3
InChIKeyUYODXQGLXLEIGY-UHFFFAOYSA-N
XLogP4.80
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2,5-difluorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]ethyl]-N-ethylacetamide
CID 142583122
N-ethyl-N-[2-[2-[(2-fluorophenyl)methyl]-7-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]ethyl]cyclobutanecarboxamide
CID 145314866
[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclopropylmethanone
CID 134829568
methyl 6-chloro-2-[(2-chlorophenyl)methylamino]sulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-4-carboxylate
CID 153405452
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
N-[[(3R,4R)-1-[(2-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 98633174
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 19294948
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 133213514
(3aR,10aS)-2-[(2-chlorophenyl)methyl]-8-(3-methoxyphenyl)-4-methyl-1,3,3a,10a-tetrahydropyrrolo[3,4-b][1,4]benzoxazepin-5-one
CID 125418471
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide (CID 142583135) is N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide is CCC(=O)N(C)CC1CN(Cc2ccccc2Cl)Cc2[nH]c3cc(OC)ccc3c21.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide?
The InChIKey is UYODXQGLXLEIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-4-23(29)27(2)12-17-14-28(13-16-7-5-6-8-20(16)25)15-22-24(17)19-10-9-18(30-3)11-21(19)26-22/h5-11,17,26H,4,12-15H2,1-3H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide?
N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide has a molecular weight of 425.96 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]-7-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 142583135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).