4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol

C23H30N6O2 — CID 169158202

IUPAC4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCN1CCC(n2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)cn2)CC1
InChIInChI=1S/C23H30N6O2/c1-28-11-9-18(10-12-28)29-15-17(14-25-29)26-23-24-13-16-3-2-4-21(22(16)27-23)31-20-7-5-19(30)6-8-20/h2-4,13-15,18-20,30H,5-12H2,1H3,(H,24,26,27)
InChIKeyBKJRWZPVYBXWLE-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.52
Rot. Bonds5

About 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol

4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 169158202) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID169158202
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCN1CCC(n2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)cn2)CC1
InChIInChI=1S/C23H30N6O2/c1-28-11-9-18(10-12-28)29-15-17(14-25-29)26-23-24-13-16-3-2-4-21(22(16)27-23)31-20-7-5-19(30)6-8-20/h2-4,13-15,18-20,30H,5-12H2,1H3,(H,24,26,27)
InChIKeyBKJRWZPVYBXWLE-UHFFFAOYSA-N
XLogP3.52
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
CID 176676029
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenol
CID 155204644
5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
CID 154944208

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol (CID 169158202) is 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol is CN1CCC(n2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)cn2)CC1.
What is the InChIKey of 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is BKJRWZPVYBXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-28-11-9-18(10-12-28)29-15-17(14-25-29)26-23-24-13-16-3-2-4-21(22(16)27-23)31-20-7-5-19(30)6-8-20/h2-4,13-15,18-20,30H,5-12H2,1H3,(H,24,26,27).
What are the key properties of 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 422.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 169158202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).