propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate

C12H16N2O2 — CID 154448723

IUPACpropan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCC(C)OC(=O)C1CNc2ccncc2C1
InChIInChI=1S/C12H16N2O2/c1-8(2)16-12(15)10-5-9-6-13-4-3-11(9)14-7-10/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyNVNHSPQNOOJZJW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.62
Rot. Bonds2

About propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate

propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate (PubChem CID 154448723) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate
PubChem CID154448723
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namepropan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCC(C)OC(=O)C1CNc2ccncc2C1
InChIInChI=1S/C12H16N2O2/c1-8(2)16-12(15)10-5-9-6-13-4-3-11(9)14-7-10/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyNVNHSPQNOOJZJW-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate (CID 154448723) is propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate is CC(C)OC(=O)C1CNc2ccncc2C1.
What is the InChIKey of propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is NVNHSPQNOOJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)16-12(15)10-5-9-6-13-4-3-11(9)14-7-10/h3-4,6,8,10,14H,5,7H2,1-2H3.
What are the key properties of propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate?
propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1,2,3,4-tetrahydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 154448723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).