2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol

C23H26FN5O2 — CID 130446847

IUPAC2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28)
InChIKeySONRWOPRGQHPKL-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.59
Rot. Bonds4

About 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol

2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446847) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446847
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F
InChIInChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28)
InChIKeySONRWOPRGQHPKL-UHFFFAOYSA-N
XLogP3.59
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.59
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 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol (CID 130446847) is 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol is Oc1cc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)cnc1F.
What is the InChIKey of 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is SONRWOPRGQHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28).
What are the key properties of 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 423.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).