[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol

C23H23N5O2S — CID 44537829

IUPAC[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1
InChIInChI=1S/C23H23N5O2S/c29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28)
InChIKeyOBYCSSPEHJTXFH-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.12
Rot. Bonds6

About [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol

[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 44537829) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol
PubChem CID44537829
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1
InChIInChI=1S/C23H23N5O2S/c29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28)
InChIKeyOBYCSSPEHJTXFH-UHFFFAOYSA-N
XLogP4.12
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol (CID 44537829) is [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol is OCc1csc(-c2cc3cnc(Nc4ccccc4)nc3cc2OC2CCNCC2)n1.
What is the InChIKey of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is OBYCSSPEHJTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c29-13-17-14-31-22(26-17)19-10-15-12-25-23(27-16-4-2-1-3-5-16)28-20(15)11-21(19)30-18-6-8-24-9-7-18/h1-5,10-12,14,18,24,29H,6-9,13H2,(H,25,27,28).
What are the key properties of [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol?
[2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 433.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 44537829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).