N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

C24H24ClN5O2S — CID 10162954

IUPACN-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)CC1
InChIInChI=1S/C24H24ClN5O2S/c1-30-9-7-18(8-10-30)32-22-4-2-3-20-23(22)24(27-14-26-20)29-16-5-6-21(19(25)11-16)31-12-17-13-33-15-28-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H,26,27,29)
InChIKeyHBTRDSONVLGOKS-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.54
Rot. Bonds7

About N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine

N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 10162954) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID10162954
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC NameN-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
SMILESCN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)CC1
InChIInChI=1S/C24H24ClN5O2S/c1-30-9-7-18(8-10-30)32-22-4-2-3-20-23(22)24(27-14-26-20)29-16-5-6-21(19(25)11-16)31-12-17-13-33-15-28-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H,26,27,29)
InChIKeyHBTRDSONVLGOKS-UHFFFAOYSA-N
XLogP5.54
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-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-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine (CID 10162954) is N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c23)CC1.
What is the InChIKey of N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is HBTRDSONVLGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c1-30-9-7-18(8-10-30)32-22-4-2-3-20-23(22)24(27-14-26-20)29-16-5-6-21(19(25)11-16)31-12-17-13-33-15-28-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H,26,27,29).
What are the key properties of N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine?
N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 482.01 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 10162954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).