8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

C23H23N7O3 — CID 70686589

IUPAC8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C23H23N7O3/c31-23-30(5-1-4-29-6-8-32-9-7-29)20-11-17-19(12-21(20)33-23)24-14-25-22(17)27-16-2-3-18-15(10-16)13-26-28-18/h2-3,10-14H,1,4-9H2,(H,26,28)(H,24,25,27)
InChIKeyVOAPURHNWAYKRM-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.88
Rot. Bonds6

About 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one

8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (PubChem CID 70686589) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
PubChem CID70686589
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one
SMILESO=c1oc2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3cc2n1CCCN1CCOCC1
InChIInChI=1S/C23H23N7O3/c31-23-30(5-1-4-29-6-8-32-9-7-29)20-11-17-19(12-21(20)33-23)24-14-25-22(17)27-16-2-3-18-15(10-16)13-26-28-18/h2-3,10-14H,1,4-9H2,(H,26,28)(H,24,25,27)
InChIKeyVOAPURHNWAYKRM-UHFFFAOYSA-N
XLogP2.88
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-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

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The IUPAC name of 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one (CID 70686589) is 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The canonical SMILES for 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is O=c1oc2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3cc2n1CCCN1CCOCC1.
What is the InChIKey of 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
The InChIKey is VOAPURHNWAYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-23-30(5-1-4-29-6-8-32-9-7-29)20-11-17-19(12-21(20)33-23)24-14-25-22(17)27-16-2-3-18-15(10-16)13-26-28-18/h2-3,10-14H,1,4-9H2,(H,26,28)(H,24,25,27).
What are the key properties of 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one?
8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one has a molecular weight of 445.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indazol-5-ylamino)-1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 70686589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).