5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide

C26H27N5O4 — CID 118695048

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2c(C)noc2C)cnc1N1CCOCC1
InChIInChI=1S/C26H27N5O4/c1-14-10-23(32)28-22-9-15(2)21(12-19(14)22)29-26(33)20-11-18(24-16(3)30-35-17(24)4)13-27-25(20)31-5-7-34-8-6-31/h9-13H,5-8H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyXFYVEMRBAIAFCE-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.90
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 118695048) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID118695048
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2c(C)noc2C)cnc1N1CCOCC1
InChIInChI=1S/C26H27N5O4/c1-14-10-23(32)28-22-9-15(2)21(12-19(14)22)29-26(33)20-11-18(24-16(3)30-35-17(24)4)13-27-25(20)31-5-7-34-8-6-31/h9-13H,5-8H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyXFYVEMRBAIAFCE-UHFFFAOYSA-N
XLogP3.90
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 118695048) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide is Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2c(C)noc2C)cnc1N1CCOCC1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is XFYVEMRBAIAFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-14-10-23(32)28-22-9-15(2)21(12-19(14)22)29-26(33)20-11-18(24-16(3)30-35-17(24)4)13-27-25(20)31-5-7-34-8-6-31/h9-13H,5-8H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118695048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).