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

C24H25N5O2S — CID 59325512

IUPAC[2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCC(Oc2cc3nc(Nc4ccccc4)ncc3cc2-c2nc(CO)cs2)CC1
InChIInChI=1S/C24H25N5O2S/c1-29-9-7-19(8-10-29)31-22-12-21-16(11-20(22)23-26-18(14-30)15-32-23)13-25-24(28-21)27-17-5-3-2-4-6-17/h2-6,11-13,15,19,30H,7-10,14H2,1H3,(H,25,27,28)
InChIKeyRJLLDBAQJGPPCD-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.46
Rot. Bonds6

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

[2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 59325512) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol
PubChem CID59325512
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name[2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCC(Oc2cc3nc(Nc4ccccc4)ncc3cc2-c2nc(CO)cs2)CC1
InChIInChI=1S/C24H25N5O2S/c1-29-9-7-19(8-10-29)31-22-12-21-16(11-20(22)23-26-18(14-30)15-32-23)13-25-24(28-21)27-17-5-3-2-4-6-17/h2-6,11-13,15,19,30H,7-10,14H2,1H3,(H,25,27,28)
InChIKeyRJLLDBAQJGPPCD-UHFFFAOYSA-N
XLogP4.46
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol (CID 59325512) is [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol is CN1CCC(Oc2cc3nc(Nc4ccccc4)ncc3cc2-c2nc(CO)cs2)CC1.
What is the InChIKey of [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is RJLLDBAQJGPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-29-9-7-19(8-10-29)31-22-12-21-16(11-20(22)23-26-18(14-30)15-32-23)13-25-24(28-21)27-17-5-3-2-4-6-17/h2-6,11-13,15,19,30H,7-10,14H2,1H3,(H,25,27,28).
What are the key properties of [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol?
[2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 447.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 59325512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).