6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C18H23FN4O — CID 125494036

IUPAC6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H23FN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22)
InChIKeyIFGSCHFFQXNAQE-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.82
Rot. Bonds3

About 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 125494036) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID125494036
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H23FN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22)
InChIKeyIFGSCHFFQXNAQE-UHFFFAOYSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 125494036) is 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Fc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is IFGSCHFFQXNAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22).
What are the key properties of 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 125494036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).