(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

C19H17ClN2O — CID 113089107

IUPAC(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H17ClN2O/c1-21-17-5-3-2-4-15(17)16-12-22(11-10-18(16)21)19(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyVYQGGCPEEBAXRZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.03
Rot. Bonds1

About (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (PubChem CID 113089107) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
PubChem CID113089107
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H17ClN2O/c1-21-17-5-3-2-4-15(17)16-12-22(11-10-18(16)21)19(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3
InChIKeyVYQGGCPEEBAXRZ-UHFFFAOYSA-N
XLogP4.03
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3,4-dichlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 113089087
2-chloro-1-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 42695028
(4-hydroxyphenyl)-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methanone
CID 6539922
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
2-(4-chlorophenoxy)-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)ethanone
CID 113089964
5-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695075
N-[7-(hydroxyamino)-7-oxoheptyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 156776145
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695045
2-benzoyl-4-methyl-1,3-dihydropyrrolo[3,4-b]quinolin-9-one
CID 12884007
methyl 5-(2-benzoyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)pentanoate
CID 175679386
2-methyl-1-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)propan-1-one
CID 113089930
5-(2-methylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 175148722

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (CID 113089107) is (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is Cn1c2c(c3ccccc31)CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is VYQGGCPEEBAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-21-17-5-3-2-4-15(17)16-12-22(11-10-18(16)21)19(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
(4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 324.81 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 113089107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).