[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone

C23H26N4O — CID 122572045

IUPAC[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(-c3ccc4nccc(N)c4c3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-26(2)19-4-3-13-27(15-19)23(28)17-7-5-16(6-8-17)18-9-10-22-20(14-18)21(24)11-12-25-22/h5-12,14,19H,3-4,13,15H2,1-2H3,(H2,24,25)
InChIKeyVMOXLABESUVMEP-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.65
Rot. Bonds3

About [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone

[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 122572045) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID122572045
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2ccc(-c3ccc4nccc(N)c4c3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-26(2)19-4-3-13-27(15-19)23(28)17-7-5-16(6-8-17)18-9-10-22-20(14-18)21(24)11-12-25-22/h5-12,14,19H,3-4,13,15H2,1-2H3,(H2,24,25)
InChIKeyVMOXLABESUVMEP-UHFFFAOYSA-N
XLogP3.65
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546
[(3S)-3-(dimethylamino)azepan-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70752814
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 102705708
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone (CID 122572045) is [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2ccc(-c3ccc4nccc(N)c4c3)cc2)C1.
What is the InChIKey of [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is VMOXLABESUVMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-26(2)19-4-3-13-27(15-19)23(28)17-7-5-16(6-8-17)18-9-10-22-20(14-18)21(24)11-12-25-22/h5-12,14,19H,3-4,13,15H2,1-2H3,(H2,24,25).
What are the key properties of [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone?
[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 122572045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).