6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide

C23H36BrN3O — CID 54611938

IUPAC6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
SMILESBr.CCCCN(CCCC)c1cc(C(=O)CCCCCN)c2ccccc2n1
InChIInChI=1S/C23H35N3O.BrH/c1-3-5-16-26(17-6-4-2)23-18-20(22(27)14-8-7-11-15-24)19-12-9-10-13-21(19)25-23;/h9-10,12-13,18H,3-8,11,14-17,24H2,1-2H3;1H
InChIKeyKBOQHDZVPWDUKU-UHFFFAOYSA-N
MW450.47 g/mol
LogP5.92
Rot. Bonds13

About 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide

6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide (PubChem CID 54611938) has the molecular formula C23H36BrN3O and a molecular weight of 450.47 g/mol. Its IUPAC name is 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide.

Molecular Properties

Compound Name6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
PubChem CID54611938
Molecular FormulaC23H36BrN3O
Molecular Weight450.47 g/mol
Exact Mass449.20
IUPAC Name6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide
SMILESBr.CCCCN(CCCC)c1cc(C(=O)CCCCCN)c2ccccc2n1
InChIInChI=1S/C23H35N3O.BrH/c1-3-5-16-26(17-6-4-2)23-18-20(22(27)14-8-7-11-15-24)19-12-9-10-13-21(19)25-23;/h9-10,12-13,18H,3-8,11,14-17,24H2,1-2H3;1H
InChIKeyKBOQHDZVPWDUKU-UHFFFAOYSA-N
XLogP5.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylquinolin-4-yl)heptan-1-one
CID 159379638
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
1-quinolin-4-yldecan-1-one
CID 105086389
1-naphthalen-1-yldodecan-1-one
CID 3424169
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
4-(dimethylamino)-1-[2-(2-methylphenyl)quinolin-4-yl]butan-1-one
CID 165107845
4-(dimethylamino)-1-[2-(3,4,5-trifluorophenyl)quinolin-4-yl]butan-1-one
CID 159340286
1-quinolin-5-ylhexan-1-one
CID 115789824
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide?
The IUPAC name of 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide (CID 54611938) is 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide.
What is the SMILES notation for 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide?
The canonical SMILES for 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide is Br.CCCCN(CCCC)c1cc(C(=O)CCCCCN)c2ccccc2n1.
What is the InChIKey of 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide?
The InChIKey is KBOQHDZVPWDUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O.BrH/c1-3-5-16-26(17-6-4-2)23-18-20(22(27)14-8-7-11-15-24)19-12-9-10-13-21(19)25-23;/h9-10,12-13,18H,3-8,11,14-17,24H2,1-2H3;1H.
What are the key properties of 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide?
6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide has a molecular weight of 450.47 g/mol, XLogP of 5.92, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide is sourced from PubChem (CID 54611938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).