2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one

C19H20N2O2 — CID 149037989

IUPAC2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
SMILESCCCCc1ccc(OCC2=Nc3cnccc3C(=O)C2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-4-14-5-7-16(8-6-14)23-13-15-11-19(22)17-9-10-20-12-18(17)21-15/h5-10,12H,2-4,11,13H2,1H3
InChIKeyQGZRMKYCFMIRCC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.16
Rot. Bonds6

About 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one

2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one (PubChem CID 149037989) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
PubChem CID149037989
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
SMILESCCCCc1ccc(OCC2=Nc3cnccc3C(=O)C2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-3-4-14-5-7-16(8-6-14)23-13-15-11-19(22)17-9-10-20-12-18(17)21-15/h5-10,12H,2-4,11,13H2,1H3
InChIKeyQGZRMKYCFMIRCC-UHFFFAOYSA-N
XLogP4.16
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenoxy)methyl]-3H-1,7-naphthyridin-4-one
CID 159425716
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
1-butyl-4-phosphorosooxybenzene
CID 66862853
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
6-(4-butylphenoxy)hexan-2-one
CID 115492852
1-(4-butylphenoxy)-3-methylbutan-2-one
CID 115492859
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The IUPAC name of 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one (CID 149037989) is 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The canonical SMILES for 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one is CCCCc1ccc(OCC2=Nc3cnccc3C(=O)C2)cc1.
What is the InChIKey of 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
The InChIKey is QGZRMKYCFMIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-4-14-5-7-16(8-6-14)23-13-15-11-19(22)17-9-10-20-12-18(17)21-15/h5-10,12H,2-4,11,13H2,1H3.
What are the key properties of 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one?
2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one is sourced from PubChem (CID 149037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).