1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine

C17H16N4 — CID 91020552

IUPAC1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
SMILESNc1cc2c(c(-c3cnc4ccccc4c3)n1)CCNC2
InChIInChI=1S/C17H16N4/c18-16-8-12-9-19-6-5-14(12)17(21-16)13-7-11-3-1-2-4-15(11)20-10-13/h1-4,7-8,10,19H,5-6,9H2,(H2,18,21)
InChIKeyMZUXSHHWVWVGSQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds1

About 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine

1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine (PubChem CID 91020552) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
PubChem CID91020552
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
SMILESNc1cc2c(c(-c3cnc4ccccc4c3)n1)CCNC2
InChIInChI=1S/C17H16N4/c18-16-8-12-9-19-6-5-14(12)17(21-16)13-7-11-3-1-2-4-15(11)20-10-13/h1-4,7-8,10,19H,5-6,9H2,(H2,18,21)
InChIKeyMZUXSHHWVWVGSQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The IUPAC name of 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine (CID 91020552) is 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine.
What is the SMILES notation for 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The canonical SMILES for 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine is Nc1cc2c(c(-c3cnc4ccccc4c3)n1)CCNC2.
What is the InChIKey of 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
The InChIKey is MZUXSHHWVWVGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-16-8-12-9-19-6-5-14(12)17(21-16)13-7-11-3-1-2-4-15(11)20-10-13/h1-4,7-8,10,19H,5-6,9H2,(H2,18,21).
What are the key properties of 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine?
1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine is sourced from PubChem (CID 91020552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).