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

C23H22N4O2 — CID 122513546

IUPAC4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1
InChIInChI=1S/C23H22N4O2/c28-18-7-9-19(10-8-18)29-21-5-1-3-16-14-25-23(27-22(16)21)26-17-6-11-20-15(13-17)4-2-12-24-20/h1-6,11-14,18-19,28H,7-10H2,(H,25,26,27)
InChIKeyAYZPESFOJIRSKT-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.60
Rot. Bonds4

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

4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513546) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513546
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1
InChIInChI=1S/C23H22N4O2/c28-18-7-9-19(10-8-18)29-21-5-1-3-16-14-25-23(27-22(16)21)26-17-6-11-20-15(13-17)4-2-12-24-20/h1-6,11-14,18-19,28H,7-10H2,(H,25,26,27)
InChIKeyAYZPESFOJIRSKT-UHFFFAOYSA-N
XLogP4.60
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513546) is 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is OC1CCC(Oc2cccc3cnc(Nc4ccc5ncccc5c4)nc23)CC1.
What is the InChIKey of 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is AYZPESFOJIRSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-18-7-9-19(10-8-18)29-21-5-1-3-16-14-25-23(27-22(16)21)26-17-6-11-20-15(13-17)4-2-12-24-20/h1-6,11-14,18-19,28H,7-10H2,(H,25,26,27).
What are the key properties of 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 386.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(quinolin-6-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).