4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one

C24H22ClN3O — CID 52942796

IUPAC4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H22ClN3O/c1-26-11-10-21-20-8-7-19(14-22(20)27(2)23(21)15-26)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyURQRWNUEBLHZRQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.64
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one

4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one (PubChem CID 52942796) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
PubChem CID52942796
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
SMILESCN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1
InChIInChI=1S/C24H22ClN3O/c1-26-11-10-21-20-8-7-19(14-22(20)27(2)23(21)15-26)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyURQRWNUEBLHZRQ-UHFFFAOYSA-N
XLogP4.64
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
CID 18669080
1-(4-Benzyl-piperazin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 18669091
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclohexyl-piperazin-1-yl)-propan-1-one
CID 44334149
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(3-methyl-butyl)-piperazin-1-yl]-propan-1-one
CID 44334275
N-(1-acetyl-1H-indol-3-yl)-N-(4-chlorophenyl)acetamide
CID 2289673
2-[2-(4-Chloro-phenyl)-1-methyl-1H-indol-3-yl]-N,N-dipropyl-acetamide
CID 10091344
1-[(4-Chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,3-dimethyl-1H-indole
CID 16025956
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(2,2-dimethyl-propyl)-piperazin-1-yl]-propan-1-one
CID 18669055
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 44193792
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-phenylpyridin-2(1H)-one
CID 44194383
4-(4-chlorophenyl)-1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2(1H)-one
CID 44194850

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one (CID 52942796) is 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one is CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?
The InChIKey is URQRWNUEBLHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-26-11-10-21-20-8-7-19(14-22(20)27(2)23(21)15-26)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one?
4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one has a molecular weight of 403.91 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one is sourced from PubChem (CID 52942796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).