2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline

C17H20ClNO — CID 103558627

IUPAC2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline
SMILESCOC1(CC(Cl)Cc2ccc3ccccc3n2)CCC1
InChIInChI=1S/C17H20ClNO/c1-20-17(9-4-10-17)12-14(18)11-15-8-7-13-5-2-3-6-16(13)19-15/h2-3,5-8,14H,4,9-12H2,1H3
InChIKeyPPYQVFVLXHKXOH-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline

2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline (PubChem CID 103558627) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline.

Molecular Properties

Compound Name2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline
PubChem CID103558627
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline
SMILESCOC1(CC(Cl)Cc2ccc3ccccc3n2)CCC1
InChIInChI=1S/C17H20ClNO/c1-20-17(9-4-10-17)12-14(18)11-15-8-7-13-5-2-3-6-16(13)19-15/h2-3,5-8,14H,4,9-12H2,1H3
InChIKeyPPYQVFVLXHKXOH-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
CID 103558104
2-(2-chloro-3-cyclobutylpropyl)quinoline
CID 103167493
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]-1,3-difluorobenzene
CID 103558151
2-(2-chloro-3-cycloheptylpropyl)quinoline
CID 114459396
2-(1-methoxycyclobutyl)-1-naphthalen-2-ylethanamine
CID 103559265
[1-(1-methylcyclopentyl)-2-quinolin-2-ylethyl]hydrazine
CID 105316272
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
2-[2-chloro-4-(oxan-2-yl)butyl]quinoline
CID 66460957
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 103560180
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
CID 89210421
CID 89210421
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline?
The IUPAC name of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline (CID 103558627) is 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline.
What is the SMILES notation for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline?
The canonical SMILES for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline is COC1(CC(Cl)Cc2ccc3ccccc3n2)CCC1.
What is the InChIKey of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline?
The InChIKey is PPYQVFVLXHKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-20-17(9-4-10-17)12-14(18)11-15-8-7-13-5-2-3-6-16(13)19-15/h2-3,5-8,14H,4,9-12H2,1H3.
What are the key properties of 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline?
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline has a molecular weight of 289.81 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(1-methoxycyclobutyl)propyl]quinoline is sourced from PubChem (CID 103558627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).