4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine

C18H24BN3O3 — CID 156726497

IUPAC4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
SMILESCC1(C)OB(c2cnc3ccc(N4CCOCC4)nc3c2)OC1(C)C
InChIInChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)13-11-15-14(20-12-13)5-6-16(21-15)22-7-9-23-10-8-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyAWHNYJCLZSTJSQ-UHFFFAOYSA-N
MW341.22 g/mol
LogP1.77
Rot. Bonds2

About 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine

4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine (PubChem CID 156726497) has the molecular formula C18H24BN3O3 and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
PubChem CID156726497
Molecular FormulaC18H24BN3O3
Molecular Weight341.22 g/mol
Exact Mass341.19
IUPAC Name4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine
SMILESCC1(C)OB(c2cnc3ccc(N4CCOCC4)nc3c2)OC1(C)C
InChIInChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)13-11-15-14(20-12-13)5-6-16(21-15)22-7-9-23-10-8-22/h5-6,11-12H,7-10H2,1-4H3
InChIKeyAWHNYJCLZSTJSQ-UHFFFAOYSA-N
XLogP1.77
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 169112889
4-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
CID 126842355
2-pyrazol-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 71209305
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]morpholine
CID 147347753
2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 67172433
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
(E)-2-(3-morpholin-4-ylquinoxalin-6-yl)prop-1-en-1-amine
CID 143761172
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-4-amine
CID 44755170
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine (CID 156726497) is 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine is CC1(C)OB(c2cnc3ccc(N4CCOCC4)nc3c2)OC1(C)C.
What is the InChIKey of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?
The InChIKey is AWHNYJCLZSTJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)13-11-15-14(20-12-13)5-6-16(21-15)22-7-9-23-10-8-22/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine?
4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine has a molecular weight of 341.22 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 156726497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).