6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one

C17H21N3O — CID 19854657

IUPAC6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCC(c1ccc2c(c1)CCC(=O)N2)n1ccnc1
InChIInChI=1S/C17H21N3O/c1-2-3-4-16(20-10-9-18-12-20)14-5-7-15-13(11-14)6-8-17(21)19-15/h5,7,9-12,16H,2-4,6,8H2,1H3,(H,19,21)
InChIKeyCCTGSGMYKUJLCX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.55
Rot. Bonds5

About 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one

6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854657) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854657
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCC(c1ccc2c(c1)CCC(=O)N2)n1ccnc1
InChIInChI=1S/C17H21N3O/c1-2-3-4-16(20-10-9-18-12-20)14-5-7-15-13(11-14)6-8-17(21)19-15/h5,7,9-12,16H,2-4,6,8H2,1H3,(H,19,21)
InChIKeyCCTGSGMYKUJLCX-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 14373275
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-[1-(propylamino)hexyl]-3,4-dihydro-1H-quinolin-2-one
CID 43496187
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
3-ethyl-6-(1-imidazol-1-yl-2-methylpropyl)-1,4-dihydroquinazolin-2-one
CID 174293394
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-[(E)-1-imidazol-1-ylpent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 70373556
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921

Frequently Asked Questions

What is the IUPAC name of 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one (CID 19854657) is 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one is CCCCC(c1ccc2c(c1)CCC(=O)N2)n1ccnc1.
What is the InChIKey of 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CCTGSGMYKUJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-3-4-16(20-10-9-18-12-20)14-5-7-15-13(11-14)6-8-17(21)19-15/h5,7,9-12,16H,2-4,6,8H2,1H3,(H,19,21).
What are the key properties of 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imidazol-1-ylpentyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).