7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one

C26H28N4O3 — CID 153400014

IUPAC7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESC=C=C(CCCCCCc1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1)c1ncco1
InChIInChI=1S/C26H28N4O3/c1-4-18(26-27-13-14-33-26)9-7-5-6-8-10-24-28-17-21(29-24)20-15-19-11-12-25(31)30(2)22(19)16-23(20)32-3/h11-17H,1,5-10H2,2-3H3,(H,28,29)
InChIKeyWKKQMWZCKVDRLZ-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.29
Rot. Bonds10

About 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one

7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one (PubChem CID 153400014) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one
PubChem CID153400014
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESC=C=C(CCCCCCc1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1)c1ncco1
InChIInChI=1S/C26H28N4O3/c1-4-18(26-27-13-14-33-26)9-7-5-6-8-10-24-28-17-21(29-24)20-15-19-11-12-25(31)30(2)22(19)16-23(20)32-3/h11-17H,1,5-10H2,2-3H3,(H,28,29)
InChIKeyWKKQMWZCKVDRLZ-UHFFFAOYSA-N
XLogP5.29
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one?
The IUPAC name of 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one (CID 153400014) is 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one is C=C=C(CCCCCCc1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1)c1ncco1.
What is the InChIKey of 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one?
The InChIKey is WKKQMWZCKVDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-4-18(26-27-13-14-33-26)9-7-5-6-8-10-24-28-17-21(29-24)20-15-19-11-12-25(31)30(2)22(19)16-23(20)32-3/h11-17H,1,5-10H2,2-3H3,(H,28,29).
What are the key properties of 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one?
7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one has a molecular weight of 444.54 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one is sourced from PubChem (CID 153400014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).