N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine

C22H13ClFN3O — CID 45277739

IUPACN-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine
SMILESFc1ccc(-c2nc3ccccc3c3oc(Nc4cccc(Cl)c4)nc23)cc1
InChIInChI=1S/C22H13ClFN3O/c23-14-4-3-5-16(12-14)25-22-27-20-19(13-8-10-15(24)11-9-13)26-18-7-2-1-6-17(18)21(20)28-22/h1-12H,(H,25,27)
InChIKeyMTLWNQNMSLJVTN-UHFFFAOYSA-N
MW389.82 g/mol
LogP6.58
Rot. Bonds3

About N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine

N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine (PubChem CID 45277739) has the molecular formula C22H13ClFN3O and a molecular weight of 389.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine
PubChem CID45277739
Molecular FormulaC22H13ClFN3O
Molecular Weight389.82 g/mol
Exact Mass389.07
IUPAC NameN-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine
SMILESFc1ccc(-c2nc3ccccc3c3oc(Nc4cccc(Cl)c4)nc23)cc1
InChIInChI=1S/C22H13ClFN3O/c23-14-4-3-5-16(12-14)25-22-27-20-19(13-8-10-15(24)11-9-13)26-18-7-2-1-6-17(18)21(20)28-22/h1-12H,(H,25,27)
InChIKeyMTLWNQNMSLJVTN-UHFFFAOYSA-N
XLogP6.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine (CID 45277739) is N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine is Fc1ccc(-c2nc3ccccc3c3oc(Nc4cccc(Cl)c4)nc23)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The InChIKey is MTLWNQNMSLJVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3O/c23-14-4-3-5-16(12-14)25-22-27-20-19(13-8-10-15(24)11-9-13)26-18-7-2-1-6-17(18)21(20)28-22/h1-12H,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine?
N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine has a molecular weight of 389.82 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-fluorophenyl)-[1,3]oxazolo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 45277739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).