4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

C23H21FN4O2 — CID 122513535

IUPAC4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccnc5cc(F)ccc45)nc23)CC1
InChIInChI=1S/C23H21FN4O2/c24-15-4-9-18-19(10-11-25-20(18)12-15)27-23-26-13-14-2-1-3-21(22(14)28-23)30-17-7-5-16(29)6-8-17/h1-4,9-13,16-17,29H,5-8H2,(H,25,26,27,28)
InChIKeyHZVRUCVDGHPMNG-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513535) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513535
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2cccc3cnc(Nc4ccnc5cc(F)ccc45)nc23)CC1
InChIInChI=1S/C23H21FN4O2/c24-15-4-9-18-19(10-11-25-20(18)12-15)27-23-26-13-14-2-1-3-21(22(14)28-23)30-17-7-5-16(29)6-8-17/h1-4,9-13,16-17,29H,5-8H2,(H,25,26,27,28)
InChIKeyHZVRUCVDGHPMNG-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

Analyze 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol with MolForge

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Related Compounds

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
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CID 91801204
N-(4-fluoro-2-methylphenyl)-8-methoxy-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 21476448
N4-[2-[4-(2-pyridylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509556
N4-[2-[4-(2-quinolylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509557
7-{[3-(Benzyloxy)phenyl][(4-methylpyridin-2-yl)amino]methyl}quinolin-8-ol
CID 2895488

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513535) is 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is OC1CCC(Oc2cccc3cnc(Nc4ccnc5cc(F)ccc45)nc23)CC1.
What is the InChIKey of 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is HZVRUCVDGHPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-15-4-9-18-19(10-11-25-20(18)12-15)27-23-26-13-14-2-1-3-21(22(14)28-23)30-17-7-5-16(29)6-8-17/h1-4,9-13,16-17,29H,5-8H2,(H,25,26,27,28).
What are the key properties of 4-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-[(7-fluoroquinolin-4-yl)amino]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-[2-[(7-fluoroquinolin-4-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).