5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

C14H18N2O — CID 122543656

IUPAC5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)cc2c(C)c1C
InChIInChI=1S/C14H18N2O/c1-7(2)11-6-12-9(4)8(3)10(5)15-13(12)16-14(11)17/h6-7H,1-5H3,(H,15,16,17)
InChIKeyHTDUIIVVTKHUJD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds1

About 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one

5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (PubChem CID 122543656) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
PubChem CID122543656
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)c(C(C)C)cc2c(C)c1C
InChIInChI=1S/C14H18N2O/c1-7(2)11-6-12-9(4)8(3)10(5)15-13(12)16-14(11)17/h6-7H,1-5H3,(H,15,16,17)
InChIKeyHTDUIIVVTKHUJD-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one (CID 122543656) is 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is Cc1nc2[nH]c(=O)c(C(C)C)cc2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is HTDUIIVVTKHUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-7(2)11-6-12-9(4)8(3)10(5)15-13(12)16-14(11)17/h6-7H,1-5H3,(H,15,16,17).
What are the key properties of 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one?
5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 122543656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).