5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

C30H44N4O4 — CID 59822463

IUPAC5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCCCC(C(=O)N1CCOCC1)N1CCC(CNC(=O)c2cc3c(C)cccc3n(C(C)C)c2=O)CC1
InChIInChI=1S/C30H44N4O4/c1-5-6-9-27(30(37)33-15-17-38-18-16-33)32-13-11-23(12-14-32)20-31-28(35)25-19-24-22(4)8-7-10-26(24)34(21(2)3)29(25)36/h7-8,10,19,21,23,27H,5-6,9,11-18,20H2,1-4H3,(H,31,35)
InChIKeySZUOIKKOZZZVPM-UHFFFAOYSA-N
MW524.71 g/mol
LogP3.75
Rot. Bonds9

About 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide

5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 59822463) has the molecular formula C30H44N4O4 and a molecular weight of 524.71 g/mol. Its IUPAC name is 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID59822463
Molecular FormulaC30H44N4O4
Molecular Weight524.71 g/mol
Exact Mass524.34
IUPAC Name5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCCCC(C(=O)N1CCOCC1)N1CCC(CNC(=O)c2cc3c(C)cccc3n(C(C)C)c2=O)CC1
InChIInChI=1S/C30H44N4O4/c1-5-6-9-27(30(37)33-15-17-38-18-16-33)32-13-11-23(12-14-32)20-31-28(35)25-19-24-22(4)8-7-10-26(24)34(21(2)3)29(25)36/h7-8,10,19,21,23,27H,5-6,9,11-18,20H2,1-4H3,(H,31,35)
InChIKeySZUOIKKOZZZVPM-UHFFFAOYSA-N
XLogP3.75
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 59822463) is 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide is CCCCC(C(=O)N1CCOCC1)N1CCC(CNC(=O)c2cc3c(C)cccc3n(C(C)C)c2=O)CC1.
What is the InChIKey of 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is SZUOIKKOZZZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O4/c1-5-6-9-27(30(37)33-15-17-38-18-16-33)32-13-11-23(12-14-32)20-31-28(35)25-19-24-22(4)8-7-10-26(24)34(21(2)3)29(25)36/h7-8,10,19,21,23,27H,5-6,9,11-18,20H2,1-4H3,(H,31,35).
What are the key properties of 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide?
5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 524.71 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(1-morpholin-4-yl-1-oxohexan-2-yl)piperidin-4-yl]methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 59822463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).