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

C25H24N4 — CID 42645725

IUPAC6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C25H24N4/c1-18(19-7-3-2-4-8-19)29-14-12-23-21(17-29)11-13-26-25(23)28-22-15-20-9-5-6-10-24(20)27-16-22/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,26,28)
InChIKeyHNRAZMOVLUNROI-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.49
Rot. Bonds4

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

6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42645725) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42645725
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C25H24N4/c1-18(19-7-3-2-4-8-19)29-14-12-23-21(17-29)11-13-26-25(23)28-22-15-20-9-5-6-10-24(20)27-16-22/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,26,28)
InChIKeyHNRAZMOVLUNROI-UHFFFAOYSA-N
XLogP5.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42645725) is 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is HNRAZMOVLUNROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-18(19-7-3-2-4-8-19)29-14-12-23-21(17-29)11-13-26-25(23)28-22-15-20-9-5-6-10-24(20)27-16-22/h2-11,13,15-16,18H,12,14,17H2,1H3,(H,26,28).
What are the key properties of 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 380.50 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42645725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).