2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine

C18H26N4 — CID 91361353

IUPAC2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
SMILESCC1=C(C)NC2=NC3=C(CC2C1)CC1CC(C)C(C)N=C1N3
InChIInChI=1S/C18H26N4/c1-9-5-13-7-15-8-14-6-10(2)12(4)20-17(14)22-18(15)21-16(13)19-11(9)3/h9,11,13-14H,5-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRNADSBCDOPLQCC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.34
Rot. Bonds

About 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine

2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine (PubChem CID 91361353) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
PubChem CID91361353
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine
SMILESCC1=C(C)NC2=NC3=C(CC2C1)CC1CC(C)C(C)N=C1N3
InChIInChI=1S/C18H26N4/c1-9-5-13-7-15-8-14-6-10(2)12(4)20-17(14)22-18(15)21-16(13)19-11(9)3/h9,11,13-14H,5-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRNADSBCDOPLQCC-UHFFFAOYSA-N
XLogP3.34
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine with MolForge

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Related Compounds

3,7,8-Trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
CID 90961072
(8S)-3,7-diethyl-2,8-dimethyl-3,4,5,5a,6,7,8,10-octahydropyrido[2,3-b][1,8]naphthyridine
CID 91102247
N,3,7,8-tetramethyl-3,4,5,5a,6,9-hexahydro-1H-pyrido[2,3-b][1,8]naphthyridin-2-imine
CID 137100475

Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine?
The IUPAC name of 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine (CID 91361353) is 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine.
What is the SMILES notation for 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine?
The canonical SMILES for 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine is CC1=C(C)NC2=NC3=C(CC2C1)CC1CC(C)C(C)N=C1N3.
What is the InChIKey of 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine?
The InChIKey is RNADSBCDOPLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-9-5-13-7-15-8-14-6-10(2)12(4)20-17(14)22-18(15)21-16(13)19-11(9)3/h9,11,13-14H,5-8H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine?
2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine has a molecular weight of 298.43 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetramethyl-1,4,4a,5,6,6a,7,8,9,11-decahydro-1,8-naphthyridino[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 91361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).