4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine

C18H15BrFN3O — CID 133482831

IUPAC4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine
SMILESFc1ccccc1C1CN(c2ccnc3cc(Br)cnc23)CCO1
InChIInChI=1S/C18H15BrFN3O/c19-12-9-15-18(22-10-12)16(5-6-21-15)23-7-8-24-17(11-23)13-3-1-2-4-14(13)20/h1-6,9-10,17H,7-8,11H2
InChIKeyPMCMQNWQSQRPEP-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.11
Rot. Bonds2

About 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine

4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine (PubChem CID 133482831) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine
PubChem CID133482831
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC Name4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine
SMILESFc1ccccc1C1CN(c2ccnc3cc(Br)cnc23)CCO1
InChIInChI=1S/C18H15BrFN3O/c19-12-9-15-18(22-10-12)16(5-6-21-15)23-7-8-24-17(11-23)13-3-1-2-4-14(13)20/h1-6,9-10,17H,7-8,11H2
InChIKeyPMCMQNWQSQRPEP-UHFFFAOYSA-N
XLogP4.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine?
The IUPAC name of 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine (CID 133482831) is 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine.
What is the SMILES notation for 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine?
The canonical SMILES for 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine is Fc1ccccc1C1CN(c2ccnc3cc(Br)cnc23)CCO1.
What is the InChIKey of 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine?
The InChIKey is PMCMQNWQSQRPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c19-12-9-15-18(22-10-12)16(5-6-21-15)23-7-8-24-17(11-23)13-3-1-2-4-14(13)20/h1-6,9-10,17H,7-8,11H2.
What are the key properties of 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine?
4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine has a molecular weight of 388.24 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-1,5-naphthyridin-4-yl)-2-(2-fluorophenyl)morpholine is sourced from PubChem (CID 133482831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).