4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol

C23H21FN4O2 — CID 122513551

IUPAC4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2c(F)ccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1
InChIInChI=1S/C23H21FN4O2/c24-19-9-3-15-13-26-23(27-16-4-10-20-14(12-16)2-1-11-25-20)28-21(15)22(19)30-18-7-5-17(29)6-8-18/h1-4,9-13,17-18,29H,5-8H2,(H,26,27,28)
InChIKeyXBJSKNRKLUVGPQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.74
Rot. Bonds4

About 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol

4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513551) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513551
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2c(F)ccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1
InChIInChI=1S/C23H21FN4O2/c24-19-9-3-15-13-26-23(27-16-4-10-20-14(12-16)2-1-11-25-20)28-21(15)22(19)30-18-7-5-17(29)6-8-18/h1-4,9-13,17-18,29H,5-8H2,(H,26,27,28)
InChIKeyXBJSKNRKLUVGPQ-UHFFFAOYSA-N
XLogP4.74
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513551) is 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is OC1CCC(Oc2c(F)ccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1.
What is the InChIKey of 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is XBJSKNRKLUVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-19-9-3-15-13-26-23(27-16-4-10-20-14(12-16)2-1-11-25-20)28-21(15)22(19)30-18-7-5-17(29)6-8-18/h1-4,9-13,17-18,29H,5-8H2,(H,26,27,28).
What are the key properties of 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 404.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).