N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide

C23H27N3O — CID 70742212

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(CCN(C)C)c3ccccc3)c2c1
InChIInChI=1S/C23H27N3O/c1-16-10-11-22-19(14-16)20(15-17(2)24-22)23(27)25-21(12-13-26(3)4)18-8-6-5-7-9-18/h5-11,14-15,21H,12-13H2,1-4H3,(H,25,27)
InChIKeySRPUSMBFTFTTPW-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.27
Rot. Bonds6

About N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide

N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 70742212) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID70742212
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(CCN(C)C)c3ccccc3)c2c1
InChIInChI=1S/C23H27N3O/c1-16-10-11-22-19(14-16)20(15-17(2)24-22)23(27)25-21(12-13-26(3)4)18-8-6-5-7-9-18/h5-11,14-15,21H,12-13H2,1-4H3,(H,25,27)
InChIKeySRPUSMBFTFTTPW-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
CID 55974194
N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 122558966
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide (CID 70742212) is N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NC(CCN(C)C)c3ccccc3)c2c1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is SRPUSMBFTFTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-10-11-22-19(14-16)20(15-17(2)24-22)23(27)25-21(12-13-26(3)4)18-8-6-5-7-9-18/h5-11,14-15,21H,12-13H2,1-4H3,(H,25,27).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide?
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70742212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).