6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C21H24N4 — CID 42645484

IUPAC6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC(C)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H24N4/c1-15(2)13-25-10-8-19-17(14-25)7-9-22-21(19)24-18-11-16-5-3-4-6-20(16)23-12-18/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,24)
InChIKeySVBSUFNCOZDFPU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.39
Rot. Bonds4

About 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42645484) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42645484
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC(C)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H24N4/c1-15(2)13-25-10-8-19-17(14-25)7-9-22-21(19)24-18-11-16-5-3-4-6-20(16)23-12-18/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,24)
InChIKeySVBSUFNCOZDFPU-UHFFFAOYSA-N
XLogP4.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42645484) is 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC(C)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is SVBSUFNCOZDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15(2)13-25-10-8-19-17(14-25)7-9-22-21(19)24-18-11-16-5-3-4-6-20(16)23-12-18/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 332.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42645484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).