6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline

C18H16ClN5 — CID 44580826

IUPAC6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
SMILESCc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
InChIInChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyIYLACPJLCQDSFP-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline

6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline (PubChem CID 44580826) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline.

Molecular Properties

Compound Name6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
PubChem CID44580826
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
SMILESCc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1
InChIInChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
InChIKeyIYLACPJLCQDSFP-UHFFFAOYSA-N
XLogP3.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The IUPAC name of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline (CID 44580826) is 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline.
What is the SMILES notation for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The canonical SMILES for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline is Cc1nc2ccc(Cl)c(-n3ccnc3)c2cc1CCn1ccnc1.
What is the InChIKey of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
The InChIKey is IYLACPJLCQDSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3.
What are the key properties of 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline?
6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline has a molecular weight of 337.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline is sourced from PubChem (CID 44580826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).