[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol

C27H30FN5O4S — CID 11497535

IUPAC[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol
SMILESCOc1cc2c(Nc3ncc(Oc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
InChIInChI=1S/C27H30FN5O4S/c1-35-23-13-21-22(14-24(23)36-11-3-8-33-9-6-18(16-34)7-10-33)30-17-31-26(21)32-27-29-15-25(38-27)37-20-5-2-4-19(28)12-20/h2,4-5,12-15,17-18,34H,3,6-11,16H2,1H3,(H,29,30,31,32)
InChIKeyUGCMPWVZDVKTSS-UHFFFAOYSA-N
MW539.63 g/mol
LogP5.24
Rot. Bonds11

About [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol

[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol (PubChem CID 11497535) has the molecular formula C27H30FN5O4S and a molecular weight of 539.63 g/mol. Its IUPAC name is [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol
PubChem CID11497535
Molecular FormulaC27H30FN5O4S
Molecular Weight539.63 g/mol
Exact Mass539.20
IUPAC Name[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol
SMILESCOc1cc2c(Nc3ncc(Oc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1
InChIInChI=1S/C27H30FN5O4S/c1-35-23-13-21-22(14-24(23)36-11-3-8-33-9-6-18(16-34)7-10-33)30-17-31-26(21)32-27-29-15-25(38-27)37-20-5-2-4-19(28)12-20/h2,4-5,12-15,17-18,34H,3,6-11,16H2,1H3,(H,29,30,31,32)
InChIKeyUGCMPWVZDVKTSS-UHFFFAOYSA-N
XLogP5.24
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.63
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol (CID 11497535) is [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol is COc1cc2c(Nc3ncc(Oc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1.
What is the InChIKey of [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol?
The InChIKey is UGCMPWVZDVKTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4S/c1-35-23-13-21-22(14-24(23)36-11-3-8-33-9-6-18(16-34)7-10-33)30-17-31-26(21)32-27-29-15-25(38-27)37-20-5-2-4-19(28)12-20/h2,4-5,12-15,17-18,34H,3,6-11,16H2,1H3,(H,29,30,31,32).
What are the key properties of [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol?
[1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol has a molecular weight of 539.63 g/mol, XLogP of 5.24, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol is sourced from PubChem (CID 11497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).