4-[(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 16735972

IUPAC4-[(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(CNc4cccc5oc(=O)[nH]c45)nc3cc1C2
InChIInChI=1S/C26H19N5O3/c32-24-26(18-3-2-8-27-23(18)31-24)11-15-9-14-6-7-17(29-20(14)10-16(15)12-26)13-28-19-4-1-5-21-22(19)30-25(33)34-21/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32)
InChIKeyQMSTVXJIXQPFOO-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.67
Rot. Bonds3

About 4-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one

4-[(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 16735972) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-[(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 Name4-[(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 CID16735972
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name4-[(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(CNc4cccc5oc(=O)[nH]c45)nc3cc1C2
InChIInChI=1S/C26H19N5O3/c32-24-26(18-3-2-8-27-23(18)31-24)11-15-9-14-6-7-17(29-20(14)10-16(15)12-26)13-28-19-4-1-5-21-22(19)30-25(33)34-21/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32)
InChIKeyQMSTVXJIXQPFOO-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 4-[(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11533571
CID 11533571
CID 16112823
CID 16112823
CID 16735968
CID 16735968
CID 16736386
CID 16736386
CID 16736389
CID 16736389
CID 16736391
CID 16736391
CID 16736401
CID 16736401
CID 16736993
CID 16736993
CID 16737199
CID 16737199
CID 17757607
CID 17757607
CID 17757629
CID 17757629
CID 17757630
CID 17757630

Frequently Asked Questions

What is the IUPAC name of 4-[(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 4-[(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 16735972) is 4-[(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 4-[(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 4-[(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(CNc4cccc5oc(=O)[nH]c45)nc3cc1C2.
What is the InChIKey of 4-[(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 QMSTVXJIXQPFOO-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(29-20(14)10-16(15)12-26)13-28-19-4-1-5-21-22(19)30-25(33)34-21/h1-10,28H,11-13H2,(H,30,33)(H,27,31,32).
What are the key properties of 4-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methylamino]-3H-1,3-benzoxazol-2-one?
4-[(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 4-[(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 16735972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).