6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine

C17H20FN3O — CID 133377625

IUPAC6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCOC4(CCCC4)C3)c2c1
InChIInChI=1S/C17H20FN3O/c18-12-3-4-15-14(9-12)16(20-11-19-15)21-13-5-8-22-17(10-13)6-1-2-7-17/h3-4,9,11,13H,1-2,5-8,10H2,(H,19,20,21)
InChIKeyWYXBWWYSXXDCKR-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.67
Rot. Bonds2

About 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine

6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine (PubChem CID 133377625) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
PubChem CID133377625
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCOC4(CCCC4)C3)c2c1
InChIInChI=1S/C17H20FN3O/c18-12-3-4-15-14(9-12)16(20-11-19-15)21-13-5-8-22-17(10-13)6-1-2-7-17/h3-4,9,11,13H,1-2,5-8,10H2,(H,19,20,21)
InChIKeyWYXBWWYSXXDCKR-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133378078
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133377878
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
N-(1-oxaspiro[5.5]undecan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133377862
6-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]quinazolin-4-amine
CID 171359747
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
1-(3,5-dimethylphenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154872937
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71847247
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine (CID 133377625) is 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine is Fc1ccc2ncnc(NC3CCOC4(CCCC4)C3)c2c1.
What is the InChIKey of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine?
The InChIKey is WYXBWWYSXXDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-12-3-4-15-14(9-12)16(20-11-19-15)21-13-5-8-22-17(10-13)6-1-2-7-17/h3-4,9,11,13H,1-2,5-8,10H2,(H,19,20,21).
What are the key properties of 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine?
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine has a molecular weight of 301.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine is sourced from PubChem (CID 133377625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).