N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide

C25H26N4O4 — CID 57246212

IUPACN-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCOCC4)ccc2c3=O)c1
InChIInChI=1S/C25H26N4O4/c1-32-20-4-2-3-17(14-20)13-18-7-8-29-24(18)27-22-15-19(5-6-21(22)25(29)31)26-23(30)16-28-9-11-33-12-10-28/h2-6,13-15H,7-12,16H2,1H3,(H,26,30)
InChIKeyQFPDGINTSLIUBC-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.62
Rot. Bonds5

About N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide

N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide (PubChem CID 57246212) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide
PubChem CID57246212
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCOCC4)ccc2c3=O)c1
InChIInChI=1S/C25H26N4O4/c1-32-20-4-2-3-17(14-20)13-18-7-8-29-24(18)27-22-15-19(5-6-21(22)25(29)31)26-23(30)16-28-9-11-33-12-10-28/h2-6,13-15H,7-12,16H2,1H3,(H,26,30)
InChIKeyQFPDGINTSLIUBC-UHFFFAOYSA-N
XLogP2.62
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide (CID 57246212) is N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide is COc1cccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCOCC4)ccc2c3=O)c1.
What is the InChIKey of N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
The InChIKey is QFPDGINTSLIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-20-4-2-3-17(14-20)13-18-7-8-29-24(18)27-22-15-19(5-6-21(22)25(29)31)26-23(30)16-28-9-11-33-12-10-28/h2-6,13-15H,7-12,16H2,1H3,(H,26,30).
What are the key properties of N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide?
N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide has a molecular weight of 446.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 57246212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).