(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H19N3O — CID 136544256

IUPAC(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCn1ccnc1C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-18-9-8-17-15(18)16(20)19-11-12(2)10-13-6-4-5-7-14(13)19/h4-9,12H,3,10-11H2,1-2H3
InChIKeyPYMMSWOTGUTEFW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds2

About (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 136544256) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID136544256
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCn1ccnc1C(=O)N1CC(C)Cc2ccccc21
InChIInChI=1S/C16H19N3O/c1-3-18-9-8-17-15(18)16(20)19-11-12(2)10-13-6-4-5-7-14(13)19/h4-9,12H,3,10-11H2,1-2H3
InChIKeyPYMMSWOTGUTEFW-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 136544256) is (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CCn1ccnc1C(=O)N1CC(C)Cc2ccccc21.
What is the InChIKey of (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is PYMMSWOTGUTEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-18-9-8-17-15(18)16(20)19-11-12(2)10-13-6-4-5-7-14(13)19/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 136544256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).