2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine

C23H18N2O2 — CID 58524245

IUPAC2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine
SMILESc1ccc(-c2cc3cccnc3nc2-c2ccc(C3OCCO3)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-2-5-16(6-3-1)20-15-19-7-4-12-24-22(19)25-21(20)17-8-10-18(11-9-17)23-26-13-14-27-23/h1-12,15,23H,13-14H2
InChIKeyQDDNOQZNQVODQB-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.01
Rot. Bonds3

About 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine

2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine (PubChem CID 58524245) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine
PubChem CID58524245
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine
SMILESc1ccc(-c2cc3cccnc3nc2-c2ccc(C3OCCO3)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-2-5-16(6-3-1)20-15-19-7-4-12-24-22(19)25-21(20)17-8-10-18(11-9-17)23-26-13-14-27-23/h1-12,15,23H,13-14H2
InChIKeyQDDNOQZNQVODQB-UHFFFAOYSA-N
XLogP5.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine (CID 58524245) is 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine is c1ccc(-c2cc3cccnc3nc2-c2ccc(C3OCCO3)cc2)cc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine?
The InChIKey is QDDNOQZNQVODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-2-5-16(6-3-1)20-15-19-7-4-12-24-22(19)25-21(20)17-8-10-18(11-9-17)23-26-13-14-27-23/h1-12,15,23H,13-14H2.
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine?
2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine has a molecular weight of 354.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)phenyl]-3-phenyl-1,8-naphthyridine is sourced from PubChem (CID 58524245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).