5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one

C17H17N3O — CID 45269516

IUPAC5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one
SMILESCCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21
InChIInChI=1S/C17H17N3O/c1-2-9-20-10-8-15(21)16-14(20)11-13(19-17(16)18)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H2,18,19)
InChIKeySVXCTUYZEMGNRW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.06
Rot. Bonds3

About 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one

5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one (PubChem CID 45269516) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one
PubChem CID45269516
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one
SMILESCCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21
InChIInChI=1S/C17H17N3O/c1-2-9-20-10-8-15(21)16-14(20)11-13(19-17(16)18)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H2,18,19)
InChIKeySVXCTUYZEMGNRW-UHFFFAOYSA-N
XLogP3.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one (CID 45269516) is 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one is CCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21.
What is the InChIKey of 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one?
The InChIKey is SVXCTUYZEMGNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-9-20-10-8-15(21)16-14(20)11-13(19-17(16)18)12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H2,18,19).
What are the key properties of 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one?
5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-phenyl-1-propyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 45269516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).