1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline

C14H17N3O — CID 59556813

IUPAC1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(Cc1ncc[nH]1)CCC2
InChIInChI=1S/C14H17N3O/c1-18-12-5-4-11-3-2-8-17(13(11)9-12)10-14-15-6-7-16-14/h4-7,9H,2-3,8,10H2,1H3,(H,15,16)
InChIKeyKTOFQCCOPZIHIL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline

1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline (PubChem CID 59556813) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
PubChem CID59556813
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline
SMILESCOc1ccc2c(c1)N(Cc1ncc[nH]1)CCC2
InChIInChI=1S/C14H17N3O/c1-18-12-5-4-11-3-2-8-17(13(11)9-12)10-14-15-6-7-16-14/h4-7,9H,2-3,8,10H2,1H3,(H,15,16)
InChIKeyKTOFQCCOPZIHIL-UHFFFAOYSA-N
XLogP2.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline (CID 59556813) is 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline is COc1ccc2c(c1)N(Cc1ncc[nH]1)CCC2.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline?
The InChIKey is KTOFQCCOPZIHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-5-4-11-3-2-8-17(13(11)9-12)10-14-15-6-7-16-14/h4-7,9H,2-3,8,10H2,1H3,(H,15,16).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline?
1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline has a molecular weight of 243.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-7-methoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59556813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).