6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C23H25F2N5O — CID 130446846

IUPAC6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C23H25F2N5O/c24-20-12-16(13-26-22(20)25)15-1-6-21-19(11-15)23(28-14-27-21)29-17-2-4-18(5-3-17)30-7-9-31-10-8-30/h1,6,11-14,17-18H,2-5,7-10H2,(H,27,28,29)
InChIKeyXTMFSNCIBGIUGL-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.03
Rot. Bonds4

About 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446846) has the molecular formula C23H25F2N5O and a molecular weight of 425.48 g/mol. Its IUPAC name is 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446846
Molecular FormulaC23H25F2N5O
Molecular Weight425.48 g/mol
Exact Mass425.20
IUPAC Name6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESFc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C23H25F2N5O/c24-20-12-16(13-26-22(20)25)15-1-6-21-19(11-15)23(28-14-27-21)29-17-2-4-18(5-3-17)30-7-9-31-10-8-30/h1,6,11-14,17-18H,2-5,7-10H2,(H,27,28,29)
InChIKeyXTMFSNCIBGIUGL-UHFFFAOYSA-N
XLogP4.03
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446846) is 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Fc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F.
What is the InChIKey of 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is XTMFSNCIBGIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O/c24-20-12-16(13-26-22(20)25)15-1-6-21-19(11-15)23(28-14-27-21)29-17-2-4-18(5-3-17)30-7-9-31-10-8-30/h1,6,11-14,17-18H,2-5,7-10H2,(H,27,28,29).
What are the key properties of 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 425.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-difluoro-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).