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

C23H22N4O2 — CID 122513559

IUPAC4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccnc5ccccc45)nc23)CC1
InChIInChI=1S/C23H22N4O2/c28-16-8-10-17(11-9-16)29-21-7-3-4-15-14-25-23(27-22(15)21)26-20-12-13-24-19-6-2-1-5-18(19)20/h1-7,12-14,16-17,28H,8-11H2,(H,24,25,26,27)
InChIKeyOJYSJQGDTRFTLF-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.60
Rot. Bonds4

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

4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513559) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513559
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccnc5ccccc45)nc23)CC1
InChIInChI=1S/C23H22N4O2/c28-16-8-10-17(11-9-16)29-21-7-3-4-15-14-25-23(27-22(15)21)26-20-12-13-24-19-6-2-1-5-18(19)20/h1-7,12-14,16-17,28H,8-11H2,(H,24,25,26,27)
InChIKeyOJYSJQGDTRFTLF-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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Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
7-[(3-Phenoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2923731
Vuf5574
CID 4046493
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CID 91801204
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(2-((dimethylamino)methyl)-4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4-amine
CID 23628252
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390

Frequently Asked Questions

What is the IUPAC name of 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513559) is 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is OC1CCC(Oc2cccc3cnc(Nc4ccnc5ccccc45)nc23)CC1.
What is the InChIKey of 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is OJYSJQGDTRFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-16-8-10-17(11-9-16)29-21-7-3-4-15-14-25-23(27-22(15)21)26-20-12-13-24-19-6-2-1-5-18(19)20/h1-7,12-14,16-17,28H,8-11H2,(H,24,25,26,27).
What are the key properties of 4-[2-(quinolin-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-(quinolin-4-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-4-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).