4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol

C23H25N5O3 — CID 122513550

IUPAC4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCC(O)c1[nH]nc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc12
InChIInChI=1S/C23H25N5O3/c1-13(29)21-18-10-5-15(11-19(18)27-28-21)25-23-24-12-14-3-2-4-20(22(14)26-23)31-17-8-6-16(30)7-9-17/h2-5,10-13,16-17,29-30H,6-9H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyDNPWAZMXEWAPOL-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.99
Rot. Bonds5

About 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol

4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 122513550) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID122513550
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESCC(O)c1[nH]nc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc12
InChIInChI=1S/C23H25N5O3/c1-13(29)21-18-10-5-15(11-19(18)27-28-21)25-23-24-12-14-3-2-4-20(22(14)26-23)31-17-8-6-16(30)7-9-17/h2-5,10-13,16-17,29-30H,6-9H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyDNPWAZMXEWAPOL-UHFFFAOYSA-N
XLogP3.99
TPSA116.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol (CID 122513550) is 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol is CC(O)c1[nH]nc2cc(Nc3ncc4cccc(OC5CCC(O)CC5)c4n3)ccc12.
What is the InChIKey of 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is DNPWAZMXEWAPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-13(29)21-18-10-5-15(11-19(18)27-28-21)25-23-24-12-14-3-2-4-20(22(14)26-23)31-17-8-6-16(30)7-9-17/h2-5,10-13,16-17,29-30H,6-9H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 419.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 122513550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).