ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline

C16H23N3 — CID 142002286

IUPACethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC.CN1CC(Cn2ccnc2)Cc2ccccc21
InChIInChI=1S/C14H17N3.C2H6/c1-16-9-12(10-17-7-6-15-11-17)8-13-4-2-3-5-14(13)16;1-2/h2-7,11-12H,8-10H2,1H3;1-2H3
InChIKeyNETXVRWOPVLYOB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.22
Rot. Bonds2

About ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline

ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 142002286) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID142002286
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCC.CN1CC(Cn2ccnc2)Cc2ccccc21
InChIInChI=1S/C14H17N3.C2H6/c1-16-9-12(10-17-7-6-15-11-17)8-13-4-2-3-5-14(13)16;1-2/h2-7,11-12H,8-10H2,1H3;1-2H3
InChIKeyNETXVRWOPVLYOB-UHFFFAOYSA-N
XLogP3.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline (CID 142002286) is ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline is CC.CN1CC(Cn2ccnc2)Cc2ccccc21.
What is the InChIKey of ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NETXVRWOPVLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C2H6/c1-16-9-12(10-17-7-6-15-11-17)8-13-4-2-3-5-14(13)16;1-2/h2-7,11-12H,8-10H2,1H3;1-2H3.
What are the key properties of ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline?
ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 257.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 142002286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).