3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline

C17H19ClN2O — CID 61072763

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
SMILESCOc1ccc2cc(CN3CC4CCC3C4)c(Cl)nc2c1
InChIInChI=1S/C17H19ClN2O/c1-21-15-5-3-12-7-13(17(18)19-16(12)8-15)10-20-9-11-2-4-14(20)6-11/h3,5,7-8,11,14H,2,4,6,9-10H2,1H3
InChIKeyRBVMIVOWZXPDMM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.88
Rot. Bonds3

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline (PubChem CID 61072763) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
PubChem CID61072763
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline
SMILESCOc1ccc2cc(CN3CC4CCC3C4)c(Cl)nc2c1
InChIInChI=1S/C17H19ClN2O/c1-21-15-5-3-12-7-13(17(18)19-16(12)8-15)10-20-9-11-2-4-14(20)6-11/h3,5,7-8,11,14H,2,4,6,9-10H2,1H3
InChIKeyRBVMIVOWZXPDMM-UHFFFAOYSA-N
XLogP3.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
CID 113305294
2-chloro-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-methoxyquinoline
CID 26201479
3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]imidazolidine-2,4-dione
CID 60624289
2-chloro-3-(cyclohexyloxymethyl)-7-methoxyquinoline
CID 60922487
2-chloro-7-methoxy-3-(oxetan-3-yloxymethyl)quinoline
CID 102606175
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
2-chloro-3-(3,3-dimethylbutoxymethyl)-7-methoxyquinoline
CID 66234728
2-chloro-7-methoxy-3-(3-methylbutoxymethyl)quinoline
CID 60922871
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylquinolin-2-amine
CID 62207509
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
CID 79114213
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 51119637

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline (CID 61072763) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline is COc1ccc2cc(CN3CC4CCC3C4)c(Cl)nc2c1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline?
The InChIKey is RBVMIVOWZXPDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-21-15-5-3-12-7-13(17(18)19-16(12)8-15)10-20-9-11-2-4-14(20)6-11/h3,5,7-8,11,14H,2,4,6,9-10H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline?
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline has a molecular weight of 302.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-chloro-7-methoxyquinoline is sourced from PubChem (CID 61072763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).