2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide

C22H24ClN3O — CID 110301948

IUPAC2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(C(=O)NCC(c3ccccc3)N(C)C)cc2c1
InChIInChI=1S/C22H24ClN3O/c1-14-10-15(2)20-17(11-14)12-18(21(23)25-20)22(27)24-13-19(26(3)4)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3,(H,24,27)
InChIKeyIMQYBVUMWORVRL-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.54
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide

2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide (PubChem CID 110301948) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide
PubChem CID110301948
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(C(=O)NCC(c3ccccc3)N(C)C)cc2c1
InChIInChI=1S/C22H24ClN3O/c1-14-10-15(2)20-17(11-14)12-18(21(23)25-20)22(27)24-13-19(26(3)4)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3,(H,24,27)
InChIKeyIMQYBVUMWORVRL-UHFFFAOYSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide 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

2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 42919660
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
2-chloro-6,8-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]quinoline-3-carboxamide
CID 110617579
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
5-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 103817041
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
CID 27229559
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide (CID 110301948) is 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide is Cc1cc(C)c2nc(Cl)c(C(=O)NCC(c3ccccc3)N(C)C)cc2c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide?
The InChIKey is IMQYBVUMWORVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-14-10-15(2)20-17(11-14)12-18(21(23)25-20)22(27)24-13-19(26(3)4)16-8-6-5-7-9-16/h5-12,19H,13H2,1-4H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-phenylethyl]-6,8-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 110301948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).