4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide

C29H35N5O3 — CID 15997126

IUPAC4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C29H35N5O3/c1-22-19-27(33-15-17-37-18-16-33)31-26-8-7-24(20-25(22)26)30-28(35)9-10-29(36)34-13-11-32(12-14-34)21-23-5-3-2-4-6-23/h2-8,19-20H,9-18,21H2,1H3,(H,30,35)
InChIKeyVATODHSKJMFCJI-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.44
Rot. Bonds7

About 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide

4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide (PubChem CID 15997126) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
PubChem CID15997126
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C29H35N5O3/c1-22-19-27(33-15-17-37-18-16-33)31-26-8-7-24(20-25(22)26)30-28(35)9-10-29(36)34-13-11-32(12-14-34)21-23-5-3-2-4-6-23/h2-8,19-20H,9-18,21H2,1H3,(H,30,35)
InChIKeyVATODHSKJMFCJI-UHFFFAOYSA-N
XLogP3.44
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide with MolForge

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
CID 73389427
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide (CID 15997126) is 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide?
The InChIKey is VATODHSKJMFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-22-19-27(33-15-17-37-18-16-33)31-26-8-7-24(20-25(22)26)30-28(35)9-10-29(36)34-13-11-32(12-14-34)21-23-5-3-2-4-6-23/h2-8,19-20H,9-18,21H2,1H3,(H,30,35).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide?
4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide has a molecular weight of 501.63 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide is sourced from PubChem (CID 15997126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).