8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one

C19H22N4O4 — CID 177042622

IUPAC8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one
SMILESO=C1CCC2(CCN(C(=O)CCc3nc4c(O)cccc4c(=O)[nH]3)CC2)N1
InChIInChI=1S/C19H22N4O4/c24-13-3-1-2-12-17(13)20-14(21-18(12)27)4-5-16(26)23-10-8-19(9-11-23)7-6-15(25)22-19/h1-3,24H,4-11H2,(H,22,25)(H,20,21,27)
InChIKeyPTWQVCLHVLPDLQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.83
Rot. Bonds3

About 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one

8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one (PubChem CID 177042622) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one
PubChem CID177042622
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one
SMILESO=C1CCC2(CCN(C(=O)CCc3nc4c(O)cccc4c(=O)[nH]3)CC2)N1
InChIInChI=1S/C19H22N4O4/c24-13-3-1-2-12-17(13)20-14(21-18(12)27)4-5-16(26)23-10-8-19(9-11-23)7-6-15(25)22-19/h1-3,24H,4-11H2,(H,22,25)(H,20,21,27)
InChIKeyPTWQVCLHVLPDLQ-UHFFFAOYSA-N
XLogP0.83
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one (CID 177042622) is 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one is O=C1CCC2(CCN(C(=O)CCc3nc4c(O)cccc4c(=O)[nH]3)CC2)N1.
What is the InChIKey of 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one?
The InChIKey is PTWQVCLHVLPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-13-3-1-2-12-17(13)20-14(21-18(12)27)4-5-16(26)23-10-8-19(9-11-23)7-6-15(25)22-19/h1-3,24H,4-11H2,(H,22,25)(H,20,21,27).
What are the key properties of 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one?
8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one has a molecular weight of 370.41 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[3-oxo-3-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 177042622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).