6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C24H29FN6O — CID 121266071

IUPAC6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H29FN6O/c1-26-22-13-17(14-27-23(22)25)16-2-7-21-20(12-16)24(29-15-28-21)30-18-3-5-19(6-4-18)31-8-10-32-11-9-31/h2,7,12-15,18-19,26H,3-6,8-11H2,1H3,(H,28,29,30)
InChIKeyIRBHAOQWKPTUIM-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.93
Rot. Bonds5

About 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 121266071) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID121266071
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCNc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H29FN6O/c1-26-22-13-17(14-27-23(22)25)16-2-7-21-20(12-16)24(29-15-28-21)30-18-3-5-19(6-4-18)31-8-10-32-11-9-31/h2,7,12-15,18-19,26H,3-6,8-11H2,1H3,(H,28,29,30)
InChIKeyIRBHAOQWKPTUIM-UHFFFAOYSA-N
XLogP3.93
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 121266071) is 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is CNc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F.
What is the InChIKey of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is IRBHAOQWKPTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-26-22-13-17(14-27-23(22)25)16-2-7-21-20(12-16)24(29-15-28-21)30-18-3-5-19(6-4-18)31-8-10-32-11-9-31/h2,7,12-15,18-19,26H,3-6,8-11H2,1H3,(H,28,29,30).
What are the key properties of 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 436.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 121266071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).