N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C25H24ClN3O3 — CID 15990415

IUPACN-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C25H24ClN3O3/c1-28-20-10-6-5-9-17(20)22-18(14-29(25(31)23(22)28)16-7-3-4-8-16)24(30)27-19-13-15(26)11-12-21(19)32-2/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,27,30)
InChIKeyILCVMIAHFACHPG-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.52
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15990415) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15990415
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C25H24ClN3O3/c1-28-20-10-6-5-9-17(20)22-18(14-29(25(31)23(22)28)16-7-3-4-8-16)24(30)27-19-13-15(26)11-12-21(19)32-2/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,27,30)
InChIKeyILCVMIAHFACHPG-UHFFFAOYSA-N
XLogP5.52
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15990415) is N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is ILCVMIAHFACHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-28-20-10-6-5-9-17(20)22-18(14-29(25(31)23(22)28)16-7-3-4-8-16)24(30)27-19-13-15(26)11-12-21(19)32-2/h5-6,9-14,16H,3-4,7-8H2,1-2H3,(H,27,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15990415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).