N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine

C22H20FN5OS — CID 67081147

IUPACN-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4cscn4)c(OC4CCNCC4)cc3n2)c1
InChIInChI=1S/C22H20FN5OS/c23-15-2-1-3-16(9-15)27-22-25-11-14-8-18(20-12-30-13-26-20)21(10-19(14)28-22)29-17-4-6-24-7-5-17/h1-3,8-13,17,24H,4-7H2,(H,25,27,28)
InChIKeyYRXOJVDKCLAQGO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.77
Rot. Bonds5

About N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine

N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine (PubChem CID 67081147) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine
PubChem CID67081147
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC NameN-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(-c4cscn4)c(OC4CCNCC4)cc3n2)c1
InChIInChI=1S/C22H20FN5OS/c23-15-2-1-3-16(9-15)27-22-25-11-14-8-18(20-12-30-13-26-20)21(10-19(14)28-22)29-17-4-6-24-7-5-17/h1-3,8-13,17,24H,4-7H2,(H,25,27,28)
InChIKeyYRXOJVDKCLAQGO-UHFFFAOYSA-N
XLogP4.77
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine (CID 67081147) is N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine is Fc1cccc(Nc2ncc3cc(-c4cscn4)c(OC4CCNCC4)cc3n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine?
The InChIKey is YRXOJVDKCLAQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c23-15-2-1-3-16(9-15)27-22-25-11-14-8-18(20-12-30-13-26-20)21(10-19(14)28-22)29-17-4-6-24-7-5-17/h1-3,8-13,17,24H,4-7H2,(H,25,27,28).
What are the key properties of N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine?
N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine has a molecular weight of 421.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-piperidin-4-yloxy-6-(1,3-thiazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 67081147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).