1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C21H22N4O — CID 75385310

IUPAC1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C21H22N4O/c1-16(26)25-11-2-3-18-13-19(6-9-21(18)25)23-14-17-4-7-20(8-5-17)24-12-10-22-15-24/h4-10,12-13,15,23H,2-3,11,14H2,1H3
InChIKeyIMEZTVVXNDYKSZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.78
Rot. Bonds4

About 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 75385310) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID75385310
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C21H22N4O/c1-16(26)25-11-2-3-18-13-19(6-9-21(18)25)23-14-17-4-7-20(8-5-17)24-12-10-22-15-24/h4-10,12-13,15,23H,2-3,11,14H2,1H3
InChIKeyIMEZTVVXNDYKSZ-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100502862
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 75385310) is 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(NCc3ccc(-n4ccnc4)cc3)ccc21.
What is the InChIKey of 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is IMEZTVVXNDYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(26)25-11-2-3-18-13-19(6-9-21(18)25)23-14-17-4-7-20(8-5-17)24-12-10-22-15-24/h4-10,12-13,15,23H,2-3,11,14H2,1H3.
What are the key properties of 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 75385310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).