5-tert-butylbenzo[b][1,8]naphthyridine

C16H16N2 — CID 164810013

IUPAC5-tert-butylbenzo[b][1,8]naphthyridine
SMILESCC(C)(C)c1c2ccccc2nc2ncccc12
InChIInChI=1S/C16H16N2/c1-16(2,3)14-11-7-4-5-9-13(11)18-15-12(14)8-6-10-17-15/h4-10H,1-3H3
InChIKeyYGBDVFMNCZNTLK-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.08
Rot. Bonds

About 5-tert-butylbenzo[b][1,8]naphthyridine

5-tert-butylbenzo[b][1,8]naphthyridine (PubChem CID 164810013) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-tert-butylbenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name5-tert-butylbenzo[b][1,8]naphthyridine
PubChem CID164810013
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-tert-butylbenzo[b][1,8]naphthyridine
SMILESCC(C)(C)c1c2ccccc2nc2ncccc12
InChIInChI=1S/C16H16N2/c1-16(2,3)14-11-7-4-5-9-13(11)18-15-12(14)8-6-10-17-15/h4-10H,1-3H3
InChIKeyYGBDVFMNCZNTLK-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
phenazine;pyrido[3,2-b]quinoxaline
CID 134346125
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
9-tert-butyl-10-methylanthracene
CID 58161441
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
4-tert-butylpyrido[2,3-c]pyridazine
CID 59647526
9-(tribromomethyl)acridine
CID 18471467
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),2,4,6,8,12,14-heptaen-10-one
CID 23119574
4-tert-butylquinoline-3-carbaldehyde
CID 105466862
ethane;2-methyl-4-phenylpyrido[2,3-d]pyrimidine
CID 142519146

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylbenzo[b][1,8]naphthyridine?
The IUPAC name of 5-tert-butylbenzo[b][1,8]naphthyridine (CID 164810013) is 5-tert-butylbenzo[b][1,8]naphthyridine.
What is the SMILES notation for 5-tert-butylbenzo[b][1,8]naphthyridine?
The canonical SMILES for 5-tert-butylbenzo[b][1,8]naphthyridine is CC(C)(C)c1c2ccccc2nc2ncccc12.
What is the InChIKey of 5-tert-butylbenzo[b][1,8]naphthyridine?
The InChIKey is YGBDVFMNCZNTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-16(2,3)14-11-7-4-5-9-13(11)18-15-12(14)8-6-10-17-15/h4-10H,1-3H3.
What are the key properties of 5-tert-butylbenzo[b][1,8]naphthyridine?
5-tert-butylbenzo[b][1,8]naphthyridine has a molecular weight of 236.32 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylbenzo[b][1,8]naphthyridine is sourced from PubChem (CID 164810013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).