N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine

C33H26ClF2N5O4S2 — CID 68873764

IUPACN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
SMILESCC(OCCS(=O)(=O)c1ccccn1)c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3cc2F)cs1
InChIInChI=1S/C33H26ClF2N5O4S2/c1-20(44-11-12-47(42,43)31-7-2-3-10-37-31)33-41-29(18-46-33)24-15-25-28(16-27(24)36)38-19-39-32(25)40-23-8-9-30(26(34)14-23)45-17-21-5-4-6-22(35)13-21/h2-10,13-16,18-20H,11-12,17H2,1H3,(H,38,39,40)
InChIKeyQRNPYYUMCGQZQZ-UHFFFAOYSA-N
MW694.19 g/mol
LogP7.95
Rot. Bonds12

About N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine (PubChem CID 68873764) has the molecular formula C33H26ClF2N5O4S2 and a molecular weight of 694.19 g/mol. Its IUPAC name is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
PubChem CID68873764
Molecular FormulaC33H26ClF2N5O4S2
Molecular Weight694.19 g/mol
Exact Mass693.11
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
SMILESCC(OCCS(=O)(=O)c1ccccn1)c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3cc2F)cs1
InChIInChI=1S/C33H26ClF2N5O4S2/c1-20(44-11-12-47(42,43)31-7-2-3-10-37-31)33-41-29(18-46-33)24-15-25-28(16-27(24)36)38-19-39-32(25)40-23-8-9-30(26(34)14-23)45-17-21-5-4-6-22(35)13-21/h2-10,13-16,18-20H,11-12,17H2,1H3,(H,38,39,40)
InChIKeyQRNPYYUMCGQZQZ-UHFFFAOYSA-N
XLogP7.95
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.19
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine 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-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine (CID 68873764) is N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine is CC(OCCS(=O)(=O)c1ccccn1)c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3cc2F)cs1.
What is the InChIKey of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine?
The InChIKey is QRNPYYUMCGQZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26ClF2N5O4S2/c1-20(44-11-12-47(42,43)31-7-2-3-10-37-31)33-41-29(18-46-33)24-15-25-28(16-27(24)36)38-19-39-32(25)40-23-8-9-30(26(34)14-23)45-17-21-5-4-6-22(35)13-21/h2-10,13-16,18-20H,11-12,17H2,1H3,(H,38,39,40).
What are the key properties of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine?
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine has a molecular weight of 694.19 g/mol, XLogP of 7.95, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine is sourced from PubChem (CID 68873764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).