tert-butyl benzo[g]quinoline-7-carboxylate

C18H17NO2 — CID 141276812

IUPACtert-butyl benzo[g]quinoline-7-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2cc3ncccc3cc2c1
InChIInChI=1S/C18H17NO2/c1-18(2,3)21-17(20)14-7-6-12-11-16-13(5-4-8-19-16)9-15(12)10-14/h4-11H,1-3H3
InChIKeyHMKIYOGAPYGTTC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl benzo[g]quinoline-7-carboxylate

tert-butyl benzo[g]quinoline-7-carboxylate (PubChem CID 141276812) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl benzo[g]quinoline-7-carboxylate.

Molecular Properties

Compound Nametert-butyl benzo[g]quinoline-7-carboxylate
PubChem CID141276812
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nametert-butyl benzo[g]quinoline-7-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2cc3ncccc3cc2c1
InChIInChI=1S/C18H17NO2/c1-18(2,3)21-17(20)14-7-6-12-11-16-13(5-4-8-19-16)9-15(12)10-14/h4-11H,1-3H3
InChIKeyHMKIYOGAPYGTTC-UHFFFAOYSA-N
XLogP4.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl benzo[g]quinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695
tert-butyl 6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),7,10,12,14,16,18,20-decaene-17-carboxylate
CID 141443468
tert-butyl N-(quinoline-6-carbonylamino)carbamate
CID 155213246
quinolin-7-yl quinoline-7-carboxylate
CID 142797869
ethane;quinoline-6-carboxylic acid
CID 91364452
[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
CID 133059658
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
1-(methylamino)ethyl quinoline-7-carboxylate
CID 141347103

Frequently Asked Questions

What is the IUPAC name of tert-butyl benzo[g]quinoline-7-carboxylate?
The IUPAC name of tert-butyl benzo[g]quinoline-7-carboxylate (CID 141276812) is tert-butyl benzo[g]quinoline-7-carboxylate.
What is the SMILES notation for tert-butyl benzo[g]quinoline-7-carboxylate?
The canonical SMILES for tert-butyl benzo[g]quinoline-7-carboxylate is CC(C)(C)OC(=O)c1ccc2cc3ncccc3cc2c1.
What is the InChIKey of tert-butyl benzo[g]quinoline-7-carboxylate?
The InChIKey is HMKIYOGAPYGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(2,3)21-17(20)14-7-6-12-11-16-13(5-4-8-19-16)9-15(12)10-14/h4-11H,1-3H3.
What are the key properties of tert-butyl benzo[g]quinoline-7-carboxylate?
tert-butyl benzo[g]quinoline-7-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl benzo[g]quinoline-7-carboxylate is sourced from PubChem (CID 141276812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).