N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine

C19H23F2N3O2 — CID 58082598

IUPACN-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine
SMILESFC1(F)CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C19H23F2N3O2/c20-19(21)8-4-14(5-9-19)23-18-22-12-13-2-1-3-16(17(13)24-18)26-15-6-10-25-11-7-15/h1-3,12,14-15H,4-11H2,(H,22,23,24)
InChIKeyRRLWBTFXCVKNEX-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.18
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine

N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine (PubChem CID 58082598) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine
PubChem CID58082598
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine
SMILESFC1(F)CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1
InChIInChI=1S/C19H23F2N3O2/c20-19(21)8-4-14(5-9-19)23-18-22-12-13-2-1-3-16(17(13)24-18)26-15-6-10-25-11-7-15/h1-3,12,14-15H,4-11H2,(H,22,23,24)
InChIKeyRRLWBTFXCVKNEX-UHFFFAOYSA-N
XLogP4.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine (CID 58082598) is N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine is FC1(F)CCC(Nc2ncc3cccc(OC4CCOCC4)c3n2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine?
The InChIKey is RRLWBTFXCVKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c20-19(21)8-4-14(5-9-19)23-18-22-12-13-2-1-3-16(17(13)24-18)26-15-6-10-25-11-7-15/h1-3,12,14-15H,4-11H2,(H,22,23,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine?
N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine has a molecular weight of 363.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-8-(oxan-4-yloxy)quinazolin-2-amine is sourced from PubChem (CID 58082598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).