2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline

C14H11Cl2N3O — CID 162750276

IUPAC2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline
SMILESCCOc1c(Cl)ccc2c(-n3ccnc3)cc(Cl)nc12
InChIInChI=1S/C14H11Cl2N3O/c1-2-20-14-10(15)4-3-9-11(19-6-5-17-8-19)7-12(16)18-13(9)14/h3-8H,2H2,1H3
InChIKeyGBPKXDPWERPYMF-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.13
Rot. Bonds3

About 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline

2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline (PubChem CID 162750276) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline.

Molecular Properties

Compound Name2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline
PubChem CID162750276
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline
SMILESCCOc1c(Cl)ccc2c(-n3ccnc3)cc(Cl)nc12
InChIInChI=1S/C14H11Cl2N3O/c1-2-20-14-10(15)4-3-9-11(19-6-5-17-8-19)7-12(16)18-13(9)14/h3-8H,2H2,1H3
InChIKeyGBPKXDPWERPYMF-UHFFFAOYSA-N
XLogP4.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
CID 60607880
ethyl 2-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]-4-methylsulfonylbutanoate
CID 162749940
(3S)-3-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]butanoic acid
CID 162750197
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid
CID 162750155
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
2-[(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)amino]ethylphosphonic acid
CID 162750991
(3S)-1-(8-bromo-7-chloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-ol
CID 174164774
7,8-dichloro-4-imidazol-1-yl-2-[methyl-[2-(sulfinatoamino)ethyl]amino]quinoline
CID 175441516
7,8-dichloro-2-[(2S)-2-(2-diethoxyphosphorylethoxymethyl)pyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 167396123
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline?
The IUPAC name of 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline (CID 162750276) is 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline.
What is the SMILES notation for 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline?
The canonical SMILES for 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline is CCOc1c(Cl)ccc2c(-n3ccnc3)cc(Cl)nc12.
What is the InChIKey of 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline?
The InChIKey is GBPKXDPWERPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-2-20-14-10(15)4-3-9-11(19-6-5-17-8-19)7-12(16)18-13(9)14/h3-8H,2H2,1H3.
What are the key properties of 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline?
2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline has a molecular weight of 308.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-ethoxy-4-imidazol-1-ylquinoline is sourced from PubChem (CID 162750276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).