4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C19H25N3O — CID 47080367

IUPAC4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1ccnc1
InChIInChI=1S/C19H25N3O/c1-15(2)16-7-8-18-17(13-16)5-3-11-22(18)19(23)6-4-10-21-12-9-20-14-21/h7-9,12-15H,3-6,10-11H2,1-2H3
InChIKeyHQRJGZPQXYCYAV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds5

About 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 47080367) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID47080367
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1ccnc1
InChIInChI=1S/C19H25N3O/c1-15(2)16-7-8-18-17(13-16)5-3-11-22(18)19(23)6-4-10-21-12-9-20-14-21/h7-9,12-15H,3-6,10-11H2,1-2H3
InChIKeyHQRJGZPQXYCYAV-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one with MolForge

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Related Compounds

1-(7-bromo-3,4-dihydro-2H-quinolin-1-yl)-4-imidazol-1-ylbutan-1-one
CID 166260860
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 55674009
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
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
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
3-morpholin-4-yl-1-(5-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 90144710
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 47080367) is 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is HQRJGZPQXYCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)16-7-8-18-17(13-16)5-3-11-22(18)19(23)6-4-10-21-12-9-20-14-21/h7-9,12-15H,3-6,10-11H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 47080367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).