4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one

C24H23NO2 — CID 163648213

IUPAC4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
SMILESCC(=O)CCC1(CCC(C)=O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C24H23NO2/c1-16(26)11-13-24(14-12-17(2)27)20-9-5-4-8-19(20)23-21(24)15-18-7-3-6-10-22(18)25-23/h3-10,15H,11-14H2,1-2H3
InChIKeyHMHMTDWVXDRXCC-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.24
Rot. Bonds6

About 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one

4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one (PubChem CID 163648213) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one.

Molecular Properties

Compound Name4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
PubChem CID163648213
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one
SMILESCC(=O)CCC1(CCC(C)=O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C24H23NO2/c1-16(26)11-13-24(14-12-17(2)27)20-9-5-4-8-19(20)23-21(24)15-18-7-3-6-10-22(18)25-23/h3-10,15H,11-14H2,1-2H3
InChIKeyHMHMTDWVXDRXCC-UHFFFAOYSA-N
XLogP5.24
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
CID 1248929
phenyl 3-[(11S)-11-[[(11R)-11-(2-phenylethyl)indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 163839127
methyl 3-[2-chloro-11-[(2-chloro-11-propylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 164705475
phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
CID 164705563
3-[12-(2-carboxypropyl)-3-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl]-2-methylpropanoic acid
CID 167025775
phenyl 2-methyl-3-[(11S)-11-[[(11R)-11-(2-phenylpropyl)indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]propanoate
CID 163856205
ethyl 2-[2-chloro-11-(2-ethoxy-2-oxoethyl)indeno[1,2-b]quinolin-11-yl]acetate
CID 167026220
phenyl 3-[11-(3-oxo-3-phenoxypropyl)indeno[1,2-b]quinoxalin-11-yl]propanoate
CID 167025776
ethyl 3-[12-[[12-[[12-(3-ethoxy-3-oxopropyl)-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]methyl]-21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl]propanoate
CID 167025875
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
3-[11-(2-carboxyethyl)-8-fluoroindeno[1,2-b]quinoxalin-11-yl]propanoic acid
CID 170115255
2-[11-[2-(2-methylprop-2-enoyloxy)ethyl]indeno[1,2-b]quinoxalin-11-yl]ethyl 2-methylprop-2-enoate
CID 168800313

Frequently Asked Questions

What is the IUPAC name of 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one?
The IUPAC name of 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one (CID 163648213) is 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one.
What is the SMILES notation for 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one?
The canonical SMILES for 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one is CC(=O)CCC1(CCC(C)=O)c2ccccc2-c2nc3ccccc3cc21.
What is the InChIKey of 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one?
The InChIKey is HMHMTDWVXDRXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-16(26)11-13-24(14-12-17(2)27)20-9-5-4-8-19(20)23-21(24)15-18-7-3-6-10-22(18)25-23/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one?
4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one has a molecular weight of 357.45 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[11-(3-oxobutyl)indeno[1,2-b]quinolin-11-yl]butan-2-one is sourced from PubChem (CID 163648213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).