11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one

C29H33FN4O3 — CID 58134695

IUPAC11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one
SMILESCC(=O)c1cn2c3c(c(NCCCN4CCCc5ccccc54)c(F)c(N)c3c1=O)OCC21CCCC1
InChIInChI=1S/C29H33FN4O3/c1-18(35)20-16-34-26-22(27(20)36)24(31)23(30)25(28(26)37-17-29(34)11-4-5-12-29)32-13-7-15-33-14-6-9-19-8-2-3-10-21(19)33/h2-3,8,10,16,32H,4-7,9,11-15,17,31H2,1H3
InChIKeyRVLRPPZHSGVVBS-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.84
Rot. Bonds6

About 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one

11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one (PubChem CID 58134695) has the molecular formula C29H33FN4O3 and a molecular weight of 504.61 g/mol. Its IUPAC name is 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one.

Molecular Properties

Compound Name11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one
PubChem CID58134695
Molecular FormulaC29H33FN4O3
Molecular Weight504.61 g/mol
Exact Mass504.25
IUPAC Name11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one
SMILESCC(=O)c1cn2c3c(c(NCCCN4CCCc5ccccc54)c(F)c(N)c3c1=O)OCC21CCCC1
InChIInChI=1S/C29H33FN4O3/c1-18(35)20-16-34-26-22(27(20)36)24(31)23(30)25(28(26)37-17-29(34)11-4-5-12-29)32-13-7-15-33-14-6-9-19-8-2-3-10-21(19)33/h2-3,8,10,16,32H,4-7,9,11-15,17,31H2,1H3
InChIKeyRVLRPPZHSGVVBS-UHFFFAOYSA-N
XLogP4.84
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one with MolForge

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Related Compounds

11-acetyl-8-amino-7-fluoro-6-[2-(3-phenylpyrrolidin-1-yl)ethylamino]spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one
CID 58134814
11-acetyl-8-amino-7-fluoro-6-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]spiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one
CID 58134863
8-amino-7-fluoro-6-[3-(4-methylquinolin-2-yl)propylamino]-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-11-carboxylic acid
CID 58134771
6-amino-7-fluoro-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
CID 25253820
(2S)-8-amino-6-[2-(2,3-dihydroindol-1-yl)ethylamino]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbaldehyde
CID 88885556
6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
CID 25254924
8-amino-7-fluoro-2,2-dimethyl-10-oxo-6-(2-pyridin-4-ylethylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 59002876
6-amino-7-fluoro-4-oxo-8-(3-pyridin-2-ylpropylamino)spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-12,1'-cyclobutane]-3-carboxylic acid
CID 58134707
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 135114633
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-ethyl-7-oxoazepane-2-carboxamide
CID 91919456
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292

Frequently Asked Questions

What is the IUPAC name of 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one?
The IUPAC name of 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one (CID 58134695) is 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one.
What is the SMILES notation for 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one?
The canonical SMILES for 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one is CC(=O)c1cn2c3c(c(NCCCN4CCCc5ccccc54)c(F)c(N)c3c1=O)OCC21CCCC1.
What is the InChIKey of 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one?
The InChIKey is RVLRPPZHSGVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O3/c1-18(35)20-16-34-26-22(27(20)36)24(31)23(30)25(28(26)37-17-29(34)11-4-5-12-29)32-13-7-15-33-14-6-9-19-8-2-3-10-21(19)33/h2-3,8,10,16,32H,4-7,9,11-15,17,31H2,1H3.
What are the key properties of 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one?
11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one has a molecular weight of 504.61 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetyl-8-amino-6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-7-fluorospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,1'-cyclopentane]-10-one is sourced from PubChem (CID 58134695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).