(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride

C20H21ClN2O3 — CID 70044127

IUPAC(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride
SMILESCl.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1ccnc2ccccc12
InChIInChI=1S/C20H20N2O3.ClH/c23-19-11-22-13-7-12(19)8-14(22)10-15(9-13)25-20(24)17-5-6-21-18-4-2-1-3-16(17)18;/h1-6,12-15H,7-11H2;1H
InChIKeyGRJAVMZIHGTWOV-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.01
Rot. Bonds2

About (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride

(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride (PubChem CID 70044127) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride
PubChem CID70044127
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride
SMILESCl.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1ccnc2ccccc12
InChIInChI=1S/C20H20N2O3.ClH/c23-19-11-22-13-7-12(19)8-14(22)10-15(9-13)25-20(24)17-5-6-21-18-4-2-1-3-16(17)18;/h1-6,12-15H,7-11H2;1H
InChIKeyGRJAVMZIHGTWOV-UHFFFAOYSA-N
XLogP3.01
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride 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

[(3S,7S)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 25173178
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) 4-(dimethylamino)benzoate
CID 18963014
2,6-diaminohexanoic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 67363432
[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
CID 70314846
(3-cyanocyclopentyl) quinoline-5-carboxylate
CID 75497503
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-ethoxyquinoline-4-carboxylate
CID 10382620
quinoline-4-carbonyl cyanide
CID 119091066
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-methylpropoxy)quinoline-4-carboxylate
CID 10044547
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
1H-indol-3-yl quinoline-4-carboxylate
CID 154449060
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-propan-2-yloxyquinoline-4-carboxylate
CID 10473328
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-quinolin-4-ylmethanone
CID 171941825

Frequently Asked Questions

What is the IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride?
The IUPAC name of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride (CID 70044127) is (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride.
What is the SMILES notation for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride?
The canonical SMILES for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride is Cl.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1ccnc2ccccc12.
What is the InChIKey of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride?
The InChIKey is GRJAVMZIHGTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3.ClH/c23-19-11-22-13-7-12(19)8-14(22)10-15(9-13)25-20(24)17-5-6-21-18-4-2-1-3-16(17)18;/h1-6,12-15H,7-11H2;1H.
What are the key properties of (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride?
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride is sourced from PubChem (CID 70044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).