8-propan-2-yl-5,6-dihydro-1,7-naphthyridine

C11H14N2 — CID 174911896

IUPAC8-propan-2-yl-5,6-dihydro-1,7-naphthyridine
SMILESCC(C)C1=NCCc2cccnc21
InChIInChI=1S/C11H14N2/c1-8(2)10-11-9(5-7-13-10)4-3-6-12-11/h3-4,6,8H,5,7H2,1-2H3
InChIKeyXKPFFVAFQJKXJT-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.08
Rot. Bonds1

About 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine

8-propan-2-yl-5,6-dihydro-1,7-naphthyridine (PubChem CID 174911896) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine.

Molecular Properties

Compound Name8-propan-2-yl-5,6-dihydro-1,7-naphthyridine
PubChem CID174911896
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name8-propan-2-yl-5,6-dihydro-1,7-naphthyridine
SMILESCC(C)C1=NCCc2cccnc21
InChIInChI=1S/C11H14N2/c1-8(2)10-11-9(5-7-13-10)4-3-6-12-11/h3-4,6,8H,5,7H2,1-2H3
InChIKeyXKPFFVAFQJKXJT-UHFFFAOYSA-N
XLogP2.08
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine?
The IUPAC name of 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine (CID 174911896) is 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine.
What is the SMILES notation for 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine?
The canonical SMILES for 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine is CC(C)C1=NCCc2cccnc21.
What is the InChIKey of 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine?
The InChIKey is XKPFFVAFQJKXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)10-11-9(5-7-13-10)4-3-6-12-11/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine?
8-propan-2-yl-5,6-dihydro-1,7-naphthyridine has a molecular weight of 174.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-5,6-dihydro-1,7-naphthyridine is sourced from PubChem (CID 174911896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).