2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone

C16H15ClN2O — CID 61072408

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CC2CCC1C2
InChIInChI=1S/C16H15ClN2O/c17-15-8-13(12-3-1-2-4-14(12)18-15)16(20)19-9-10-5-6-11(19)7-10/h1-4,8,10-11H,5-7,9H2
InChIKeyOJQOTFJDKNLOKB-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.51
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone (PubChem CID 61072408) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
PubChem CID61072408
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CC2CCC1C2
InChIInChI=1S/C16H15ClN2O/c17-15-8-13(12-3-1-2-4-14(12)18-15)16(20)19-9-10-5-6-11(19)7-10/h1-4,8,10-11H,5-7,9H2
InChIKeyOJQOTFJDKNLOKB-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
2-azabicyclo[2.2.1]heptan-2-yl-[3-(chloromethyl)phenyl]methanone
CID 54980829
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone (CID 61072408) is 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone is O=C(c1cc(Cl)nc2ccccc12)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone?
The InChIKey is OJQOTFJDKNLOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-8-13(12-3-1-2-4-14(12)18-15)16(20)19-9-10-5-6-11(19)7-10/h1-4,8,10-11H,5-7,9H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone has a molecular weight of 286.76 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone is sourced from PubChem (CID 61072408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).