1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C22H24N4O4 — CID 55519367

IUPAC1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c(C)nc2c1
InChIInChI=1S/C22H24N4O4/c1-13-10-20(25-30-13)24-21(27)15-6-8-26(9-7-15)22(28)18-11-16-4-5-17(29-3)12-19(16)23-14(18)2/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25,27)
InChIKeyXJNUGIZXTUOPPM-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.34
Rot. Bonds4

About 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55519367) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55519367
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c(C)nc2c1
InChIInChI=1S/C22H24N4O4/c1-13-10-20(25-30-13)24-21(27)15-6-8-26(9-7-15)22(28)18-11-16-4-5-17(29-3)12-19(16)23-14(18)2/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25,27)
InChIKeyXJNUGIZXTUOPPM-UHFFFAOYSA-N
XLogP3.34
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55519367) is 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is COc1ccc2cc(C(=O)N3CCC(C(=O)Nc4cc(C)on4)CC3)c(C)nc2c1.
What is the InChIKey of 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is XJNUGIZXTUOPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-10-20(25-30-13)24-21(27)15-6-8-26(9-7-15)22(28)18-11-16-4-5-17(29-3)12-19(16)23-14(18)2/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25,27).
What are the key properties of 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55519367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).