7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one

C26H19N5O3 — CID 16736389

IUPAC7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4cccc5[nH]c(=O)oc45)nc3cc1C2
InChIInChI=1S/C26H19N5O3/c32-24-26(18-3-2-8-27-23(18)31-24)11-15-9-14-6-7-17(29-21(14)10-16(15)12-26)13-28-19-4-1-5-20-22(19)34-25(33)30-20/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32)
InChIKeyWXOONYNWFXLPFL-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.67
Rot. Bonds3

About 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one

7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 16736389) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID16736389
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4cccc5[nH]c(=O)oc45)nc3cc1C2
InChIInChI=1S/C26H19N5O3/c32-24-26(18-3-2-8-27-23(18)31-24)11-15-9-14-6-7-17(29-21(14)10-16(15)12-26)13-28-19-4-1-5-20-22(19)34-25(33)30-20/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32)
InChIKeyWXOONYNWFXLPFL-UHFFFAOYSA-N
XLogP3.67
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one (CID 16736389) is 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one is O=C1Nc2ncccc2C12Cc1cc3ccc(CNc4cccc5[nH]c(=O)oc45)nc3cc1C2.
What is the InChIKey of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is WXOONYNWFXLPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c32-24-26(18-3-2-8-27-23(18)31-24)11-15-9-14-6-7-17(29-21(14)10-16(15)12-26)13-28-19-4-1-5-20-22(19)34-25(33)30-20/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32).
What are the key properties of 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one?
7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 449.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 16736389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).