N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C23H15ClFN5O2 — CID 22579318

IUPACN-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)cc1Cl
InChIInChI=1S/C23H15ClFN5O2/c1-31-19-11-10-15(12-17(19)24)26-20-16-4-2-3-5-18(16)27-21(28-20)23-30-29-22(32-23)13-6-8-14(25)9-7-13/h2-12H,1H3,(H,26,27,28)
InChIKeyUPVWMOUMMHREAK-UHFFFAOYSA-N
MW447.86 g/mol
LogP5.89
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 22579318) has the molecular formula C23H15ClFN5O2 and a molecular weight of 447.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID22579318
Molecular FormulaC23H15ClFN5O2
Molecular Weight447.86 g/mol
Exact Mass447.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)cc1Cl
InChIInChI=1S/C23H15ClFN5O2/c1-31-19-11-10-15(12-17(19)24)26-20-16-4-2-3-5-18(16)27-21(28-20)23-30-29-22(32-23)13-6-8-14(25)9-7-13/h2-12H,1H3,(H,26,27,28)
InChIKeyUPVWMOUMMHREAK-UHFFFAOYSA-N
XLogP5.89
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.86
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 22579318) is N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is COc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is UPVWMOUMMHREAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O2/c1-31-19-11-10-15(12-17(19)24)26-20-16-4-2-3-5-18(16)27-21(28-20)23-30-29-22(32-23)13-6-8-14(25)9-7-13/h2-12H,1H3,(H,26,27,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 447.86 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 22579318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).