4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine

C16H11N3O — CID 90794912

IUPAC4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine
SMILESc1ccc2c(c1)OCN=C2c1ccnc2ccncc12
InChIInChI=1S/C16H11N3O/c1-2-4-15-12(3-1)16(19-10-20-15)11-5-8-18-14-6-7-17-9-13(11)14/h1-9H,10H2
InChIKeyMUSUWCRFYATRDN-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.82
Rot. Bonds1

About 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine

4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine (PubChem CID 90794912) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine.

Molecular Properties

Compound Name4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine
PubChem CID90794912
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine
SMILESc1ccc2c(c1)OCN=C2c1ccnc2ccncc12
InChIInChI=1S/C16H11N3O/c1-2-4-15-12(3-1)16(19-10-20-15)11-5-8-18-14-6-7-17-9-13(11)14/h1-9H,10H2
InChIKeyMUSUWCRFYATRDN-UHFFFAOYSA-N
XLogP2.82
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine?
The IUPAC name of 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine (CID 90794912) is 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine.
What is the SMILES notation for 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine?
The canonical SMILES for 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine is c1ccc2c(c1)OCN=C2c1ccnc2ccncc12.
What is the InChIKey of 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine?
The InChIKey is MUSUWCRFYATRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-4-15-12(3-1)16(19-10-20-15)11-5-8-18-14-6-7-17-9-13(11)14/h1-9H,10H2.
What are the key properties of 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine?
4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine has a molecular weight of 261.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-naphthyridin-4-yl)-2H-1,3-benzoxazine is sourced from PubChem (CID 90794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).