6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one

C21H26N2O2 — CID 123376926

IUPAC6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCC(CC)CN1CCc2nc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H26N2O2/c1-3-16(4-2)14-23-13-12-19-18(21(23)24)10-11-20(22-19)25-15-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyBMPSJALDDDSXHT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.10
Rot. Bonds7

About 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one

6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 123376926) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID123376926
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCCC(CC)CN1CCc2nc(OCc3ccccc3)ccc2C1=O
InChIInChI=1S/C21H26N2O2/c1-3-16(4-2)14-23-13-12-19-18(21(23)24)10-11-20(22-19)25-15-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyBMPSJALDDDSXHT-UHFFFAOYSA-N
XLogP4.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride
CID 24777579
7-pentyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-one
CID 69038467
N-[1-(1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)propan-2-yl]acetamide
CID 57280943
2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194476
3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one
CID 133499773
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
CID 170007907
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
2-[2-(bromomethyl)pentyl]-3,4-dihydroisoquinolin-1-one
CID 65011152
4-ethyl-2-phenylmethoxy-8H-1,6-naphthyridine-5,7-dione
CID 58317233
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
CID 175796163
3,6-bis(phenylmethoxy)pyridazine
CID 68982842

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one (CID 123376926) is 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one is CCC(CC)CN1CCc2nc(OCc3ccccc3)ccc2C1=O.
What is the InChIKey of 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is BMPSJALDDDSXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16(4-2)14-23-13-12-19-18(21(23)24)10-11-20(22-19)25-15-17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one?
6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 338.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbutyl)-2-phenylmethoxy-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 123376926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).