N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C28H26N6O2S — CID 59325359

IUPACN-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCOc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1
InChIInChI=1S/C28H26N6O2S/c1-35-26-7-4-19(16-31-26)18-2-5-21(6-3-18)33-28-32-17-20-14-23(27-30-12-13-37-27)25(15-24(20)34-28)36-22-8-10-29-11-9-22/h2-7,12-17,22,29H,8-11H2,1H3,(H,32,33,34)
InChIKeyHFYFNKGVSWGRMT-UHFFFAOYSA-N
MW510.62 g/mol
LogP5.70
Rot. Bonds7

About N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325359) has the molecular formula C28H26N6O2S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325359
Molecular FormulaC28H26N6O2S
Molecular Weight510.62 g/mol
Exact Mass510.18
IUPAC NameN-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCOc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1
InChIInChI=1S/C28H26N6O2S/c1-35-26-7-4-19(16-31-26)18-2-5-21(6-3-18)33-28-32-17-20-14-23(27-30-12-13-37-27)25(15-24(20)34-28)36-22-8-10-29-11-9-22/h2-7,12-17,22,29H,8-11H2,1H3,(H,32,33,34)
InChIKeyHFYFNKGVSWGRMT-UHFFFAOYSA-N
XLogP5.70
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-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-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325359) is N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is COc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1.
What is the InChIKey of N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is HFYFNKGVSWGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2S/c1-35-26-7-4-19(16-31-26)18-2-5-21(6-3-18)33-28-32-17-20-14-23(27-30-12-13-37-27)25(15-24(20)34-28)36-22-8-10-29-11-9-22/h2-7,12-17,22,29H,8-11H2,1H3,(H,32,33,34).
What are the key properties of N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 510.62 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).