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

C21H20FN3O — CID 45277738

IUPAC4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine
SMILESCCCCCNc1nc2c(-c3ccc(F)cc3)nc3ccccc3c2o1
InChIInChI=1S/C21H20FN3O/c1-2-3-6-13-23-21-25-19-18(14-9-11-15(22)12-10-14)24-17-8-5-4-7-16(17)20(19)26-21/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,25)
InChIKeyGDWIXVRGDMDFEE-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.78
Rot. Bonds6

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

4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine (PubChem CID 45277738) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine
PubChem CID45277738
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine
SMILESCCCCCNc1nc2c(-c3ccc(F)cc3)nc3ccccc3c2o1
InChIInChI=1S/C21H20FN3O/c1-2-3-6-13-23-21-25-19-18(14-9-11-15(22)12-10-14)24-17-8-5-4-7-16(17)20(19)26-21/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,25)
InChIKeyGDWIXVRGDMDFEE-UHFFFAOYSA-N
XLogP5.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11294227
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CID 11305296
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CID 11316876
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CID 11396148
CID 11396148
CID 21082237
CID 21082237
CID 44566019
CID 44566019
CID 10421816
CID 10421816
CID 10022345
CID 10022345
CID 10044577
CID 10044577
CID 10359780
CID 10359780
CID 10380926
CID 10380926

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine (CID 45277738) is 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine is CCCCCNc1nc2c(-c3ccc(F)cc3)nc3ccccc3c2o1.
What is the InChIKey of 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine?
The InChIKey is GDWIXVRGDMDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-3-6-13-23-21-25-19-18(14-9-11-15(22)12-10-14)24-17-8-5-4-7-16(17)20(19)26-21/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,25).
What are the key properties of 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine?
4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine has a molecular weight of 349.41 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-pentyl-[1,3]oxazolo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 45277738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).