4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol

C23H23N5O2S — CID 143913326

IUPAC4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCC(Oc2cc3nc(Nc4ccc(O)cc4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C23H23N5O2S/c1-28-9-6-18(7-10-28)30-21-13-20-15(12-19(21)22-24-8-11-31-22)14-25-23(27-20)26-16-2-4-17(29)5-3-16/h2-5,8,11-14,18,29H,6-7,9-10H2,1H3,(H,25,26,27)
InChIKeyAOZGQXJYCDIVQO-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.68
Rot. Bonds5

About 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol

4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol (PubChem CID 143913326) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol
PubChem CID143913326
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol
SMILESCN1CCC(Oc2cc3nc(Nc4ccc(O)cc4)ncc3cc2-c2nccs2)CC1
InChIInChI=1S/C23H23N5O2S/c1-28-9-6-18(7-10-28)30-21-13-20-15(12-19(21)22-24-8-11-31-22)14-25-23(27-20)26-16-2-4-17(29)5-3-16/h2-5,8,11-14,18,29H,6-7,9-10H2,1H3,(H,25,26,27)
InChIKeyAOZGQXJYCDIVQO-UHFFFAOYSA-N
XLogP4.68
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol with MolForge

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Related Compounds

[1-[3-[4-[[5-[(3-Fluorophenyl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methanol
CID 11664170
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
(6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phenyl)-amine
CID 10216042
(6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phenyl)-amine
CID 10309561
6-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11502548
N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225657
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225658
N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225682
N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine
CID 46225688
1-[5-[2-[[7-[3-(Dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
CID 59268695
2-(1,3-Benzothiazol-2-yl)-5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenol
CID 135428921
2-(1,3-Benzothiazol-2-yl)-5-[[7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenol
CID 135971426

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol?
The IUPAC name of 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol (CID 143913326) is 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol is CN1CCC(Oc2cc3nc(Nc4ccc(O)cc4)ncc3cc2-c2nccs2)CC1.
What is the InChIKey of 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol?
The InChIKey is AOZGQXJYCDIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-28-9-6-18(7-10-28)30-21-13-20-15(12-19(21)22-24-8-11-31-22)14-25-23(27-20)26-16-2-4-17(29)5-3-16/h2-5,8,11-14,18,29H,6-7,9-10H2,1H3,(H,25,26,27).
What are the key properties of 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol?
4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol has a molecular weight of 433.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 143913326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).