2-chloro-8-ethoxy-3-propan-2-ylquinoline

C14H16ClNO — CID 63531227

IUPAC2-chloro-8-ethoxy-3-propan-2-ylquinoline
SMILESCCOc1cccc2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H16ClNO/c1-4-17-12-7-5-6-10-8-11(9(2)3)14(15)16-13(10)12/h5-9H,4H2,1-3H3
InChIKeyDFDLEXGYMCMDCL-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-8-ethoxy-3-propan-2-ylquinoline

2-chloro-8-ethoxy-3-propan-2-ylquinoline (PubChem CID 63531227) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-8-ethoxy-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-8-ethoxy-3-propan-2-ylquinoline
PubChem CID63531227
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-chloro-8-ethoxy-3-propan-2-ylquinoline
SMILESCCOc1cccc2cc(C(C)C)c(Cl)nc12
InChIInChI=1S/C14H16ClNO/c1-4-17-12-7-5-6-10-8-11(9(2)3)14(15)16-13(10)12/h5-9H,4H2,1-3H3
InChIKeyDFDLEXGYMCMDCL-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.41
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

3-tert-butyl-2-chloro-8-ethoxyquinoline
CID 63382066
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
N-ethyl-3-propan-2-yl-8-propoxyquinolin-2-amine
CID 63529541
3-tert-butyl-8-ethoxy-N-propylquinolin-2-amine
CID 63382523
8-ethoxy-3-propylquinolin-2-amine
CID 63232751
3,8-diethoxyquinoline
CID 45094466
1-[(3S)-3-(2-chloro-8-ethoxyquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
CID 99796426
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1,9-diethoxyphenazine
CID 71668489
8-chloro-N-ethyl-3-propan-2-ylquinolin-2-amine
CID 63525062
1-(8-ethoxy-2-methylquinolin-4-yl)ethanamine
CID 82575817
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethoxy-3-propan-2-ylquinoline?
The IUPAC name of 2-chloro-8-ethoxy-3-propan-2-ylquinoline (CID 63531227) is 2-chloro-8-ethoxy-3-propan-2-ylquinoline.
What is the SMILES notation for 2-chloro-8-ethoxy-3-propan-2-ylquinoline?
The canonical SMILES for 2-chloro-8-ethoxy-3-propan-2-ylquinoline is CCOc1cccc2cc(C(C)C)c(Cl)nc12.
What is the InChIKey of 2-chloro-8-ethoxy-3-propan-2-ylquinoline?
The InChIKey is DFDLEXGYMCMDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-4-17-12-7-5-6-10-8-11(9(2)3)14(15)16-13(10)12/h5-9H,4H2,1-3H3.
What are the key properties of 2-chloro-8-ethoxy-3-propan-2-ylquinoline?
2-chloro-8-ethoxy-3-propan-2-ylquinoline has a molecular weight of 249.74 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethoxy-3-propan-2-ylquinoline is sourced from PubChem (CID 63531227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).