6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C24H28FN5O2 — CID 130446901

IUPAC6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H28FN5O2/c1-31-22-13-17(14-26-23(22)25)16-2-7-21-20(12-16)24(28-15-27-21)29-18-3-5-19(6-4-18)30-8-10-32-11-9-30/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28,29)
InChIKeyMHAOVOXJJQOYDK-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.89
Rot. Bonds5

About 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446901) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446901
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H28FN5O2/c1-31-22-13-17(14-26-23(22)25)16-2-7-21-20(12-16)24(28-15-27-21)29-18-3-5-19(6-4-18)30-8-10-32-11-9-30/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28,29)
InChIKeyMHAOVOXJJQOYDK-UHFFFAOYSA-N
XLogP3.89
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446901) is 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F.
What is the InChIKey of 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is MHAOVOXJJQOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-31-22-13-17(14-26-23(22)25)16-2-7-21-20(12-16)24(28-15-27-21)29-18-3-5-19(6-4-18)30-8-10-32-11-9-30/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28,29).
What are the key properties of 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 437.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-5-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).