5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol

C23H26FN5O2 — CID 130446863

IUPAC5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1
InChIInChI=1S/C23H26FN5O2/c24-21-11-22-20(10-19(21)15-9-18(30)13-25-12-15)23(27-14-26-22)28-16-1-3-17(4-2-16)29-5-7-31-8-6-29/h9-14,16-17,30H,1-8H2,(H,26,27,28)
InChIKeySBLBOUGCCWYNOD-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.59
Rot. Bonds4

About 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol

5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446863) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446863
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1
InChIInChI=1S/C23H26FN5O2/c24-21-11-22-20(10-19(21)15-9-18(30)13-25-12-15)23(27-14-26-22)28-16-1-3-17(4-2-16)29-5-7-31-8-6-29/h9-14,16-17,30H,1-8H2,(H,26,27,28)
InChIKeySBLBOUGCCWYNOD-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

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Frequently Asked Questions

What is the IUPAC name of 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol (CID 130446863) is 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol is Oc1cncc(-c2cc3c(NC4CCC(N5CCOCC5)CC4)ncnc3cc2F)c1.
What is the InChIKey of 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is SBLBOUGCCWYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-21-11-22-20(10-19(21)15-9-18(30)13-25-12-15)23(27-14-26-22)28-16-1-3-17(4-2-16)29-5-7-31-8-6-29/h9-14,16-17,30H,1-8H2,(H,26,27,28).
What are the key properties of 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol?
5-[7-fluoro-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 5-[7-fluoro-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).