N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide

C28H34N4O6 — CID 73055434

IUPACN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C28H34N4O6/c1-3-20(33)10-5-4-6-12-23(30-25(34)28(35)32-13-15-37-16-14-32)27-29-18-24(38-27)21-17-19-9-7-8-11-22(19)31-26(21)36-2/h7-9,11,17-18,23H,3-6,10,12-16H2,1-2H3,(H,30,34)/t23-/m0/s1
InChIKeyDBHAIPXBAXXJAF-QHCPKHFHSA-N
MW522.60 g/mol
LogP3.84
Rot. Bonds11

About N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide

N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 73055434) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID73055434
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)o1
InChIInChI=1S/C28H34N4O6/c1-3-20(33)10-5-4-6-12-23(30-25(34)28(35)32-13-15-37-16-14-32)27-29-18-24(38-27)21-17-19-9-7-8-11-22(19)31-26(21)36-2/h7-9,11,17-18,23H,3-6,10,12-16H2,1-2H3,(H,30,34)/t23-/m0/s1
InChIKeyDBHAIPXBAXXJAF-QHCPKHFHSA-N
XLogP3.84
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide (CID 73055434) is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide is CCC(=O)CCCCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)o1.
What is the InChIKey of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is DBHAIPXBAXXJAF-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-3-20(33)10-5-4-6-12-23(30-25(34)28(35)32-13-15-37-16-14-32)27-29-18-24(38-27)21-17-19-9-7-8-11-22(19)31-26(21)36-2/h7-9,11,17-18,23H,3-6,10,12-16H2,1-2H3,(H,30,34)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide?
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 522.60 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 73055434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).