cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C23H23ClN2O4 — CID 161490838

IUPACcyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)COC3)ccc21
InChIInChI=1S/C23H23ClN2O4/c24-16-5-3-15(4-6-16)12-21(27)23(13-29-14-23)20-10-9-19-18(25-20)2-1-11-26(19)22(28)30-17-7-8-17/h3-6,9-10,17H,1-2,7-8,11-14H2
InChIKeyWFOWASBQYORSOS-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.87
Rot. Bonds5

About cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 161490838) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID161490838
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Namecyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)COC3)ccc21
InChIInChI=1S/C23H23ClN2O4/c24-16-5-3-15(4-6-16)12-21(27)23(13-29-14-23)20-10-9-19-18(25-20)2-1-11-26(19)22(28)30-17-7-8-17/h3-6,9-10,17H,1-2,7-8,11-14H2
InChIKeyWFOWASBQYORSOS-UHFFFAOYSA-N
XLogP3.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 161490838) is cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is O=C(OC1CC1)N1CCCc2nc(C3(C(=O)Cc4ccc(Cl)cc4)COC3)ccc21.
What is the InChIKey of cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is WFOWASBQYORSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c24-16-5-3-15(4-6-16)12-21(27)23(13-29-14-23)20-10-9-19-18(25-20)2-1-11-26(19)22(28)30-17-7-8-17/h3-6,9-10,17H,1-2,7-8,11-14H2.
What are the key properties of cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 426.90 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 161490838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).