7-propan-2-yl-1H-1,6-naphthyridin-4-one

C11H12N2O — CID 122697402

IUPAC7-propan-2-yl-1H-1,6-naphthyridin-4-one
SMILESCC(C)c1cc2[nH]ccc(=O)c2cn1
InChIInChI=1S/C11H12N2O/c1-7(2)9-5-10-8(6-13-9)11(14)3-4-12-10/h3-7H,1-2H3,(H,12,14)
InChIKeyLEBRVYWVNWTXIV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.05
Rot. Bonds1

About 7-propan-2-yl-1H-1,6-naphthyridin-4-one

7-propan-2-yl-1H-1,6-naphthyridin-4-one (PubChem CID 122697402) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-propan-2-yl-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name7-propan-2-yl-1H-1,6-naphthyridin-4-one
PubChem CID122697402
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7-propan-2-yl-1H-1,6-naphthyridin-4-one
SMILESCC(C)c1cc2[nH]ccc(=O)c2cn1
InChIInChI=1S/C11H12N2O/c1-7(2)9-5-10-8(6-13-9)11(14)3-4-12-10/h3-7H,1-2H3,(H,12,14)
InChIKeyLEBRVYWVNWTXIV-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethoxy-1H-1,6-naphthyridin-4-one
CID 133062384
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
molecular hydrogen;7-propan-2-yl-3H-pyrido[4,3-d]pyrimidin-4-one
CID 145188481
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
6-chloro-1H-1,8-naphthyridin-4-one
CID 53485717
2-methyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 130251266
1H-1,7-naphthyridin-4-one
CID 589687
4-chloro-6-propan-2-ylpyridin-3-ol
CID 137430769
7-(aminomethyl)-1H-1,5-naphthyridin-4-one
CID 59256730
5-(2-propan-2-yl-4-pyridinyl)-1,2-dihydroindazol-3-one
CID 58588608
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1H-1,6-naphthyridin-4-one?
The IUPAC name of 7-propan-2-yl-1H-1,6-naphthyridin-4-one (CID 122697402) is 7-propan-2-yl-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 7-propan-2-yl-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 7-propan-2-yl-1H-1,6-naphthyridin-4-one is CC(C)c1cc2[nH]ccc(=O)c2cn1.
What is the InChIKey of 7-propan-2-yl-1H-1,6-naphthyridin-4-one?
The InChIKey is LEBRVYWVNWTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)9-5-10-8(6-13-9)11(14)3-4-12-10/h3-7H,1-2H3,(H,12,14).
What are the key properties of 7-propan-2-yl-1H-1,6-naphthyridin-4-one?
7-propan-2-yl-1H-1,6-naphthyridin-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 122697402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).