4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine

C15H18N2 — CID 167104345

IUPAC4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine
SMILESCc1ccc2c(c1)=CN(C)C1C=2N=CCC1C
InChIInChI=1S/C15H18N2/c1-10-4-5-13-12(8-10)9-17(3)15-11(2)6-7-16-14(13)15/h4-5,7-9,11,15H,6H2,1-3H3
InChIKeyVGGDUHFXTQFYRL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.27
Rot. Bonds

About 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine

4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine (PubChem CID 167104345) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine.

Molecular Properties

Compound Name4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine
PubChem CID167104345
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine
SMILESCc1ccc2c(c1)=CN(C)C1C=2N=CCC1C
InChIInChI=1S/C15H18N2/c1-10-4-5-13-12(8-10)9-17(3)15-11(2)6-7-16-14(13)15/h4-5,7-9,11,15H,6H2,1-3H3
InChIKeyVGGDUHFXTQFYRL-UHFFFAOYSA-N
XLogP1.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine?
The IUPAC name of 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine (CID 167104345) is 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine.
What is the SMILES notation for 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine?
The canonical SMILES for 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine is Cc1ccc2c(c1)=CN(C)C1C=2N=CCC1C.
What is the InChIKey of 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine?
The InChIKey is VGGDUHFXTQFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-4-5-13-12(8-10)9-17(3)15-11(2)6-7-16-14(13)15/h4-5,7-9,11,15H,6H2,1-3H3.
What are the key properties of 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine?
4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine has a molecular weight of 226.32 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine is sourced from PubChem (CID 167104345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).