[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol

C22H19ClN6O3S — CID 59835138

IUPAC[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C22H19ClN6O3S/c23-17-8-14(2-4-19(17)31-11-20-24-5-6-33-20)27-21-16-7-13(1-3-18(16)25-12-26-21)28-22-29-15(9-30)10-32-22/h1-8,12,15,30H,9-11H2,(H,28,29)(H,25,26,27)
InChIKeyHLPAGFVYTLXLSJ-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.22
Rot. Bonds7

About [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol

[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 59835138) has the molecular formula C22H19ClN6O3S and a molecular weight of 482.95 g/mol. Its IUPAC name is [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID59835138
Molecular FormulaC22H19ClN6O3S
Molecular Weight482.95 g/mol
Exact Mass482.09
IUPAC Name[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C22H19ClN6O3S/c23-17-8-14(2-4-19(17)31-11-20-24-5-6-33-20)27-21-16-7-13(1-3-18(16)25-12-26-21)28-22-29-15(9-30)10-32-22/h1-8,12,15,30H,9-11H2,(H,28,29)(H,25,26,27)
InChIKeyHLPAGFVYTLXLSJ-UHFFFAOYSA-N
XLogP4.22
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-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 [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 59835138) is [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol is OCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is HLPAGFVYTLXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O3S/c23-17-8-14(2-4-19(17)31-11-20-24-5-6-33-20)27-21-16-7-13(1-3-18(16)25-12-26-21)28-22-29-15(9-30)10-32-22/h1-8,12,15,30H,9-11H2,(H,28,29)(H,25,26,27).
What are the key properties of [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 482.95 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 59835138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).