N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C28H34N6O2 — CID 22427697

IUPACN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C28H34N6O2/c1-21-19-26(32-13-5-2-6-14-32)31-24-9-8-22(20-23(21)24)30-27(35)10-11-28(36)34-17-15-33(16-18-34)25-7-3-4-12-29-25/h3-4,7-9,12,19-20H,2,5-6,10-11,13-18H2,1H3,(H,30,35)
InChIKeyMWBTXIYFNSESQZ-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.00
Rot. Bonds6

About N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 22427697) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID22427697
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cc12
InChIInChI=1S/C28H34N6O2/c1-21-19-26(32-13-5-2-6-14-32)31-24-9-8-22(20-23(21)24)30-27(35)10-11-28(36)34-17-15-33(16-18-34)25-7-3-4-12-29-25/h3-4,7-9,12,19-20H,2,5-6,10-11,13-18H2,1H3,(H,30,35)
InChIKeyMWBTXIYFNSESQZ-UHFFFAOYSA-N
XLogP4.00
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide with MolForge

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Launch Full Analysis

Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997126
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 46246198
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 44760722
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
N-[(2-ethoxyphenyl)methyl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 122174501
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)butanediamide
CID 22427695
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 22427697) is N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cc12.
What is the InChIKey of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is MWBTXIYFNSESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-21-19-26(32-13-5-2-6-14-32)31-24-9-8-22(20-23(21)24)30-27(35)10-11-28(36)34-17-15-33(16-18-34)25-7-3-4-12-29-25/h3-4,7-9,12,19-20H,2,5-6,10-11,13-18H2,1H3,(H,30,35).
What are the key properties of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 486.62 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 22427697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).