5-chloro-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

C26H18ClN5O3 — CID 16735968

IUPAC5-chloro-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
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4cc(Cl)cc5[nH]c(=O)oc45)nc3cc1C2
InChIInChI=1S/C26H18ClN5O3/c27-16-8-20(22-21(9-16)31-25(34)35-22)29-12-17-4-3-13-6-14-10-26(11-15(14)7-19(13)30-17)18-2-1-5-28-23(18)32-24(26)33/h1-9,29H,10-12H2,(H,31,34)(H,28,32,33)
InChIKeyQDZFKZONWMESNG-UHFFFAOYSA-N
MW483.92 g/mol
LogP4.32
Rot. Bonds3

About 5-chloro-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

5-chloro-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 16735968) has the molecular formula C26H18ClN5O3 and a molecular weight of 483.92 g/mol. Its IUPAC name is 5-chloro-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 Name5-chloro-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 CID16735968
Molecular FormulaC26H18ClN5O3
Molecular Weight483.92 g/mol
Exact Mass483.11
IUPAC Name5-chloro-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
SMILESO=C1Nc2ncccc2C12Cc1cc3ccc(CNc4cc(Cl)cc5[nH]c(=O)oc45)nc3cc1C2
InChIInChI=1S/C26H18ClN5O3/c27-16-8-20(22-21(9-16)31-25(34)35-22)29-12-17-4-3-13-6-14-10-26(11-15(14)7-19(13)30-17)18-2-1-5-28-23(18)32-24(26)33/h1-9,29H,10-12H2,(H,31,34)(H,28,32,33)
InChIKeyQDZFKZONWMESNG-UHFFFAOYSA-N
XLogP4.32
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.92
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-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 5-chloro-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 5-chloro-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 16735968) is 5-chloro-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 5-chloro-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 5-chloro-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(CNc4cc(Cl)cc5[nH]c(=O)oc45)nc3cc1C2.
What is the InChIKey of 5-chloro-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 QDZFKZONWMESNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN5O3/c27-16-8-20(22-21(9-16)31-25(34)35-22)29-12-17-4-3-13-6-14-10-26(11-15(14)7-19(13)30-17)18-2-1-5-28-23(18)32-24(26)33/h1-9,29H,10-12H2,(H,31,34)(H,28,32,33).
What are the key properties of 5-chloro-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?
5-chloro-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 483.92 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-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 16735968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).