1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one

C16H18BrN3O — CID 166260860

IUPAC1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCCc2ccc(Br)cc21
InChIInChI=1S/C16H18BrN3O/c17-14-6-5-13-3-1-9-20(15(13)11-14)16(21)4-2-8-19-10-7-18-12-19/h5-7,10-12H,1-4,8-9H2
InChIKeyPZMDRXGJNWVUNP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.41
Rot. Bonds4

About 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one

1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one (PubChem CID 166260860) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one
PubChem CID166260860
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCCc2ccc(Br)cc21
InChIInChI=1S/C16H18BrN3O/c17-14-6-5-13-3-1-9-20(15(13)11-14)16(21)4-2-8-19-10-7-18-12-19/h5-7,10-12H,1-4,8-9H2
InChIKeyPZMDRXGJNWVUNP-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one with MolForge

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Related Compounds

4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
5-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 30425885
1-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-4-imidazol-1-ylbutan-1-one
CID 110062641
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
CID 173363350
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 16884851
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
CID 61493158
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one (CID 166260860) is 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one is O=C(CCCn1ccnc1)N1CCCc2ccc(Br)cc21.
What is the InChIKey of 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one?
The InChIKey is PZMDRXGJNWVUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-14-6-5-13-3-1-9-20(15(13)11-14)16(21)4-2-8-19-10-7-18-12-19/h5-7,10-12H,1-4,8-9H2.
What are the key properties of 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one?
1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one has a molecular weight of 348.24 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 166260860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).