7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride

C19H24ClFN4O2 — CID 171479809

IUPAC7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CC3(CCNCC3)C2)nc2cc(OCC3CC3)cc(F)c12
InChIInChI=1S/C19H23FN4O2.ClH/c20-14-7-13(26-9-12-1-2-12)8-15-16(14)17(25)23-18(22-15)24-10-19(11-24)3-5-21-6-4-19;/h7-8,12,21H,1-6,9-11H2,(H,22,23,25);1H
InChIKeyYFBIISXBONWIAP-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.46
Rot. Bonds4

About 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride

7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride (PubChem CID 171479809) has the molecular formula C19H24ClFN4O2 and a molecular weight of 394.88 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride
PubChem CID171479809
Molecular FormulaC19H24ClFN4O2
Molecular Weight394.88 g/mol
Exact Mass394.16
IUPAC Name7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CC3(CCNCC3)C2)nc2cc(OCC3CC3)cc(F)c12
InChIInChI=1S/C19H23FN4O2.ClH/c20-14-7-13(26-9-12-1-2-12)8-15-16(14)17(25)23-18(22-15)24-10-19(11-24)3-5-21-6-4-19;/h7-8,12,21H,1-6,9-11H2,(H,22,23,25);1H
InChIKeyYFBIISXBONWIAP-UHFFFAOYSA-N
XLogP2.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride with MolForge

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Related Compounds

7-Methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
CID 134138908
7-ethoxy-5-fluoro-2-(oxan-4-ylmethylamino)-3H-quinazolin-4-one
CID 171479817
7-(cyclopropylmethoxy)-5-fluoro-2-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-3H-quinazolin-4-one
CID 171479820
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]-5-fluoro-2-[[methyl(oxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 176912143
7-[(1-acetylpiperidin-4-yl)methoxy]-2-[[[1-(cyclopropanecarbonyl)piperidin-4-yl]-methylamino]methyl]-5-fluoro-3H-quinazolin-4-one
CID 176912160
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

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride (CID 171479809) is 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride is Cl.O=c1[nH]c(N2CC3(CCNCC3)C2)nc2cc(OCC3CC3)cc(F)c12.
What is the InChIKey of 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride?
The InChIKey is YFBIISXBONWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.ClH/c20-14-7-13(26-9-12-1-2-12)8-15-16(14)17(25)23-18(22-15)24-10-19(11-24)3-5-21-6-4-19;/h7-8,12,21H,1-6,9-11H2,(H,22,23,25);1H.
What are the key properties of 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride?
7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride has a molecular weight of 394.88 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-5-fluoro-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 171479809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).