ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate

C20H27N3O3 — CID 68582786

IUPACethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N(C)C)c2ccc(CCCNC3CC3)cc2c1=O
InChIInChI=1S/C20H27N3O3/c1-4-26-20(25)17-13-23(22(2)3)18-10-7-14(12-16(18)19(17)24)6-5-11-21-15-8-9-15/h7,10,12-13,15,21H,4-6,8-9,11H2,1-3H3
InChIKeyCBJHDUMQMKOPEQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.06
Rot. Bonds8

About ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate

ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate (PubChem CID 68582786) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate
PubChem CID68582786
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N(C)C)c2ccc(CCCNC3CC3)cc2c1=O
InChIInChI=1S/C20H27N3O3/c1-4-26-20(25)17-13-23(22(2)3)18-10-7-14(12-16(18)19(17)24)6-5-11-21-15-8-9-15/h7,10,12-13,15,21H,4-6,8-9,11H2,1-3H3
InChIKeyCBJHDUMQMKOPEQ-UHFFFAOYSA-N
XLogP2.06
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-6-[4-(3-hydroxypropoxy)butyl]-4-oxoquinoline-3-carboxylic acid
CID 71193577
butyl 1-(dimethylamino)-6-iodo-4-oxoquinoline-3-carboxylate
CID 21192562
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 6-ethyl-1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
CID 90773821
3-[1-(dimethylamino)-3-methyl-4-oxoquinolin-6-yl]propanal
CID 59828315
ethyl 1-[1-(dimethylamino)propan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate
CID 59416186
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90876719
2,2-dimethylpropanoyloxymethyl 6-(3-aminopropyl)-1-ethyl-4-oxoquinoline-3-carboxylate
CID 69449220
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 2-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-10-oxo-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
CID 68942082
ethyl 1-(1-hydroxybutan-2-yl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 90894244

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate (CID 68582786) is ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(N(C)C)c2ccc(CCCNC3CC3)cc2c1=O.
What is the InChIKey of ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate?
The InChIKey is CBJHDUMQMKOPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-26-20(25)17-13-23(22(2)3)18-10-7-14(12-16(18)19(17)24)6-5-11-21-15-8-9-15/h7,10,12-13,15,21H,4-6,8-9,11H2,1-3H3.
What are the key properties of ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate?
ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(cyclopropylamino)propyl]-1-(dimethylamino)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 68582786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).