7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol

C9H12N2O — CID 58230662

IUPAC7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol
SMILESCc1ccc2c(n1)NCCC2O
InChIInChI=1S/C9H12N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-3,8,12H,4-5H2,1H3,(H,10,11)
InChIKeyUNBCQJSBVSJURY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds

About 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol

7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol (PubChem CID 58230662) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol
PubChem CID58230662
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol
SMILESCc1ccc2c(n1)NCCC2O
InChIInChI=1S/C9H12N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-3,8,12H,4-5H2,1H3,(H,10,11)
InChIKeyUNBCQJSBVSJURY-UHFFFAOYSA-N
XLogP1.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol (CID 58230662) is 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol is Cc1ccc2c(n1)NCCC2O.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol?
The InChIKey is UNBCQJSBVSJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-2-3-7-8(12)4-5-10-9(7)11-6/h2-3,8,12H,4-5H2,1H3,(H,10,11).
What are the key properties of 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol?
7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol has a molecular weight of 164.21 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-ol is sourced from PubChem (CID 58230662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).