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

C27H25N7OS — CID 59325494

IUPACN-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESNc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1
InChIInChI=1S/C27H25N7OS/c28-25-6-3-18(15-31-25)17-1-4-20(5-2-17)33-27-32-16-19-13-22(26-30-11-12-36-26)24(14-23(19)34-27)35-21-7-9-29-10-8-21/h1-6,11-16,21,29H,7-10H2,(H2,28,31)(H,32,33,34)
InChIKeyKTRPTBIPHUJVTG-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.27
Rot. Bonds6

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

N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59325494) has the molecular formula C27H25N7OS and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59325494
Molecular FormulaC27H25N7OS
Molecular Weight495.61 g/mol
Exact Mass495.18
IUPAC NameN-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESNc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1
InChIInChI=1S/C27H25N7OS/c28-25-6-3-18(15-31-25)17-1-4-20(5-2-17)33-27-32-16-19-13-22(26-30-11-12-36-26)24(14-23(19)34-27)35-21-7-9-29-10-8-21/h1-6,11-16,21,29H,7-10H2,(H2,28,31)(H,32,33,34)
InChIKeyKTRPTBIPHUJVTG-UHFFFAOYSA-N
XLogP5.27
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59325494) is N-[4-(6-amino-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-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Nc1ccc(-c2ccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)cc2)cn1.
What is the InChIKey of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is KTRPTBIPHUJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7OS/c28-25-6-3-18(15-31-25)17-1-4-20(5-2-17)33-27-32-16-19-13-22(26-30-11-12-36-26)24(14-23(19)34-27)35-21-7-9-29-10-8-21/h1-6,11-16,21,29H,7-10H2,(H2,28,31)(H,32,33,34).
What are the key properties of N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 495.61 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-3-pyridinyl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).