3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one

C14H18N2O — CID 170059863

IUPAC3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(C(C)C)c(C)c2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-5-10-6-12-13(16-14(10)17)9(4)11(7-15-12)8(2)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyXNIMHFLYVIQEGN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds2

About 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one

3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one (PubChem CID 170059863) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one
PubChem CID170059863
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(C(C)C)c(C)c2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-5-10-6-12-13(16-14(10)17)9(4)11(7-15-12)8(2)3/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyXNIMHFLYVIQEGN-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
CID 166021931
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
CID 178132037
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
2,7-dimethyl-6-propan-2-yl-1H-pyrazolo[4,3-b]pyridin-3-one
CID 146322867
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
CID 118005009
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
4-ethyl-6-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 137390743
3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
CID 166082549

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one (CID 170059863) is 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(C(C)C)c(C)c2[nH]c1=O.
What is the InChIKey of 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one?
The InChIKey is XNIMHFLYVIQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-10-6-12-13(16-14(10)17)9(4)11(7-15-12)8(2)3/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one?
3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-7-propan-2-yl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 170059863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).