N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide

C28H41N5O3 — CID 22427825

IUPACN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
SMILESCc1cc(N2CC(C)CC(C)C2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C28H41N5O3/c1-20-15-21(2)19-33(18-20)26-16-22(3)24-17-23(5-6-25(24)31-26)30-28(35)8-7-27(34)29-9-4-10-32-11-13-36-14-12-32/h5-6,16-17,20-21H,4,7-15,18-19H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyKWANIVQBIARZKT-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.58
Rot. Bonds9

About N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide

N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide (PubChem CID 22427825) has the molecular formula C28H41N5O3 and a molecular weight of 495.67 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
PubChem CID22427825
Molecular FormulaC28H41N5O3
Molecular Weight495.67 g/mol
Exact Mass495.32
IUPAC NameN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
SMILESCc1cc(N2CC(C)CC(C)C2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C28H41N5O3/c1-20-15-21(2)19-33(18-20)26-16-22(3)24-17-23(5-6-25(24)31-26)30-28(35)8-7-27(34)29-9-4-10-32-11-13-36-14-12-32/h5-6,16-17,20-21H,4,7-15,18-19H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyKWANIVQBIARZKT-UHFFFAOYSA-N
XLogP3.58
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(4-fluorophenyl)butanediamide
CID 22427809
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
CID 22427815
N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
CID 22427817
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
1-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 92656186
1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 92656187
N'-(5-chloro-2,4-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-methylquinolin-6-yl]butanediamide
CID 98192218
N'-(5-chloro-2,4-dimethoxyphenyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylquinolin-6-yl]butanediamide
CID 98192216
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide?
The IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide (CID 22427825) is N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide.
What is the SMILES notation for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide?
The canonical SMILES for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide is Cc1cc(N2CC(C)CC(C)C2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCOCC3)cc12.
What is the InChIKey of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide?
The InChIKey is KWANIVQBIARZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O3/c1-20-15-21(2)19-33(18-20)26-16-22(3)24-17-23(5-6-25(24)31-26)30-28(35)8-7-27(34)29-9-4-10-32-11-13-36-14-12-32/h5-6,16-17,20-21H,4,7-15,18-19H2,1-3H3,(H,29,34)(H,30,35).
What are the key properties of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide?
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide has a molecular weight of 495.67 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide is sourced from PubChem (CID 22427825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).