3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C14H20N2O2 — CID 82521987

IUPAC3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cc2c(n(C(C)C)c1=O)CCN(C)C2
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13-5-6-15(4)8-11(13)7-12(10(3)17)14(16)18/h7,9H,5-6,8H2,1-4H3
InChIKeyURRWTNNPZZJDFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds2

About 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521987) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521987
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1cc2c(n(C(C)C)c1=O)CCN(C)C2
InChIInChI=1S/C14H20N2O2/c1-9(2)16-13-5-6-15(4)8-11(13)7-12(10(3)17)14(16)18/h7,9H,5-6,8H2,1-4H3
InChIKeyURRWTNNPZZJDFY-UHFFFAOYSA-N
XLogP1.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(E)-3-(6-methyl-2-oxo-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82521986
1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82521884
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
3-(piperazine-1-carbonyl)-1-propan-2-yl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522490
1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521892
1-ethyl-6-methyl-3-(piperazine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522057
(E)-3-(1,6-dimethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82522082
3-acetyl-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522270
3-(1-aminoethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521573
3-(chloromethyl)-6-ethyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521582
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521987) is 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1cc2c(n(C(C)C)c1=O)CCN(C)C2.
What is the InChIKey of 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is URRWTNNPZZJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-13-5-6-15(4)8-11(13)7-12(10(3)17)14(16)18/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).