7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one

C20H24FN3O3 — CID 171479820

IUPAC7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CC(O)C3)nc2cc(OCC3CC3)cc(F)c12
InChIInChI=1S/C20H24FN3O3/c21-15-7-14(27-11-12-1-2-12)8-16-17(15)18(26)23-19(22-16)24-5-3-20(4-6-24)9-13(25)10-20/h7-8,12-13,25H,1-6,9-11H2,(H,22,23,26)
InChIKeyYGFAIPYQBLOYLU-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.59
Rot. Bonds4

About 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one

7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one (PubChem CID 171479820) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one
PubChem CID171479820
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC3(CC2)CC(O)C3)nc2cc(OCC3CC3)cc(F)c12
InChIInChI=1S/C20H24FN3O3/c21-15-7-14(27-11-12-1-2-12)8-16-17(15)18(26)23-19(22-16)24-5-3-20(4-6-24)9-13(25)10-20/h7-8,12-13,25H,1-6,9-11H2,(H,22,23,26)
InChIKeyYGFAIPYQBLOYLU-UHFFFAOYSA-N
XLogP2.59
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one with MolForge

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Related Compounds

7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride
CID 171479809
7-ethoxy-5-fluoro-2-(oxan-4-ylmethylamino)-3H-quinazolin-4-one
CID 171479817
2-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-7-(cyclopropylmethoxy)-5-fluoro-3H-quinazolin-4-one
CID 171479821
7-(cyclopropylmethoxy)-5-fluoro-2-(oxan-4-ylmethylamino)-3H-quinazolin-4-one
CID 171479838
7-(cyclopropylmethoxy)-5-fluoro-2-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-3H-quinazolin-4-one
CID 176912118
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-7-(cyclopropylmethoxy)-5-fluoro-3H-quinazolin-4-one
CID 176912130
7-[(1-acetylpiperidin-4-yl)methoxy]-2-[[2-(cyclopropanecarbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-5-fluoro-3H-quinazolin-4-one
CID 176912134
7-[(1-acetylpiperidin-4-yl)methoxy]-2-[(1-acetylpiperidin-4-yl)methylamino]-5-fluoro-3H-quinazolin-4-one
CID 176912140
7-[(1-acetylpiperidin-4-yl)methoxy]-2-[[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-5-fluoro-3H-quinazolin-4-one
CID 176912162
7-[(1-acetylpiperidin-4-yl)methoxy]-2-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-5-fluoro-3H-quinazolin-4-one
CID 176912164
7-(cyclopropylmethoxy)-5-fluoro-2-(3-piperazin-1-ylazetidin-1-yl)-3H-quinazolin-4-one;hydrochloride
CID 178307553
7-(cyclopropylmethoxy)-5-fluoro-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-3H-quinazolin-4-one
CID 178307658

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one?
The IUPAC name of 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one (CID 171479820) is 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one is O=c1[nH]c(N2CCC3(CC2)CC(O)C3)nc2cc(OCC3CC3)cc(F)c12.
What is the InChIKey of 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one?
The InChIKey is YGFAIPYQBLOYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-15-7-14(27-11-12-1-2-12)8-16-17(15)18(26)23-19(22-16)24-5-3-20(4-6-24)9-13(25)10-20/h7-8,12-13,25H,1-6,9-11H2,(H,22,23,26).
What are the key properties of 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one?
7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one has a molecular weight of 373.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 171479820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).