4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one

C23H26N4O — CID 156744645

IUPAC4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)cc(N2CC(C)N3Cc4cc(C)ccc4C3C2)c2cccnc21
InChIInChI=1S/C23H26N4O/c1-4-26-22(28)11-20(19-6-5-9-24-23(19)26)25-12-16(3)27-13-17-10-15(2)7-8-18(17)21(27)14-25/h5-11,16,21H,4,12-14H2,1-3H3
InChIKeyZYFSLUBPDCTSEW-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.49
Rot. Bonds2

About 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one

4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one (PubChem CID 156744645) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one
PubChem CID156744645
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)cc(N2CC(C)N3Cc4cc(C)ccc4C3C2)c2cccnc21
InChIInChI=1S/C23H26N4O/c1-4-26-22(28)11-20(19-6-5-9-24-23(19)26)25-12-16(3)27-13-17-10-15(2)7-8-18(17)21(27)14-25/h5-11,16,21H,4,12-14H2,1-3H3
InChIKeyZYFSLUBPDCTSEW-UHFFFAOYSA-N
XLogP3.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one (CID 156744645) is 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one is CCn1c(=O)cc(N2CC(C)N3Cc4cc(C)ccc4C3C2)c2cccnc21.
What is the InChIKey of 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one?
The InChIKey is ZYFSLUBPDCTSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-26-22(28)11-20(19-6-5-9-24-23(19)26)25-12-16(3)27-13-17-10-15(2)7-8-18(17)21(27)14-25/h5-11,16,21H,4,12-14H2,1-3H3.
What are the key properties of 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one?
4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-dimethyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl)-1-ethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 156744645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).