2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one

C24H21N3O2 — CID 20790733

IUPAC2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC3CC3)ncc12
InChIInChI=1S/C24H21N3O2/c28-22-14-23(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)21-13-24(25-15-20(21)22)29-16-17-11-12-17/h1-10,13-15,17,26H,11-12,16H2
InChIKeyVJQMYXZMIPEIRZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.92
Rot. Bonds6

About 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790733) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790733
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC3CC3)ncc12
InChIInChI=1S/C24H21N3O2/c28-22-14-23(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)21-13-24(25-15-20(21)22)29-16-17-11-12-17/h1-10,13-15,17,26H,11-12,16H2
InChIKeyVJQMYXZMIPEIRZ-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one (CID 20790733) is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(OCC3CC3)ncc12.
What is the InChIKey of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is VJQMYXZMIPEIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-22-14-23(26-18-7-3-1-4-8-18)27(19-9-5-2-6-10-19)21-13-24(25-15-20(21)22)29-16-17-11-12-17/h1-10,13-15,17,26H,11-12,16H2.
What are the key properties of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 383.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).