N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide

C42H47ClN10O4S3 — CID 123544919

IUPACN-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide
SMILESO=S(NC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1sccc1C1CN(c2ccc3c(N4CCCC(C(O)c5nccs5)C4)ncnc3c2)CCO1
InChIInChI=1S/C42H47ClN10O4S3/c43-42-47-35-22-29(50-13-16-56-17-14-50)5-8-32(35)39(48-42)53-12-2-4-28(24-53)49-60(55)41-33(9-19-59-41)36-25-51(15-18-57-36)30-6-7-31-34(21-30)45-26-46-38(31)52-11-1-3-27(23-52)37(54)40-44-10-20-58-40/h5-10,19-22,26-28,36-37,49,54H,1-4,11-18,23-25H2
InChIKeyPNRGOKBDTIHUNH-UHFFFAOYSA-N
MW887.56 g/mol
LogP6.39
Rot. Bonds10

About N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide

N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide (PubChem CID 123544919) has the molecular formula C42H47ClN10O4S3 and a molecular weight of 887.56 g/mol. Its IUPAC name is N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide
PubChem CID123544919
Molecular FormulaC42H47ClN10O4S3
Molecular Weight887.56 g/mol
Exact Mass886.26
IUPAC NameN-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide
SMILESO=S(NC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1sccc1C1CN(c2ccc3c(N4CCCC(C(O)c5nccs5)C4)ncnc3c2)CCO1
InChIInChI=1S/C42H47ClN10O4S3/c43-42-47-35-22-29(50-13-16-56-17-14-50)5-8-32(35)39(48-42)53-12-2-4-28(24-53)49-60(55)41-33(9-19-59-41)36-25-51(15-18-57-36)30-6-7-31-34(21-30)45-26-46-38(31)52-11-1-3-27(23-52)37(54)40-44-10-20-58-40/h5-10,19-22,26-28,36-37,49,54H,1-4,11-18,23-25H2
InChIKeyPNRGOKBDTIHUNH-UHFFFAOYSA-N
XLogP6.39
TPSA145.20 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.56
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide 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 N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide?
The IUPAC name of N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide (CID 123544919) is N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide.
What is the SMILES notation for N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide?
The canonical SMILES for N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide is O=S(NC1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1sccc1C1CN(c2ccc3c(N4CCCC(C(O)c5nccs5)C4)ncnc3c2)CCO1.
What is the InChIKey of N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide?
The InChIKey is PNRGOKBDTIHUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47ClN10O4S3/c43-42-47-35-22-29(50-13-16-56-17-14-50)5-8-32(35)39(48-42)53-12-2-4-28(24-53)49-60(55)41-33(9-19-59-41)36-25-51(15-18-57-36)30-6-7-31-34(21-30)45-26-46-38(31)52-11-1-3-27(23-52)37(54)40-44-10-20-58-40/h5-10,19-22,26-28,36-37,49,54H,1-4,11-18,23-25H2.
What are the key properties of N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide?
N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide has a molecular weight of 887.56 g/mol, XLogP of 6.39, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-3-[4-[4-[3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholin-2-yl]thiophene-2-sulfinamide is sourced from PubChem (CID 123544919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).