5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid

C17H23NO3 — CID 82263541

IUPAC5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
SMILESCCCN1CCCc2ccc(C(=O)CCCC(=O)O)cc21
InChIInChI=1S/C17H23NO3/c1-2-10-18-11-4-5-13-8-9-14(12-15(13)18)16(19)6-3-7-17(20)21/h8-9,12H,2-7,10-11H2,1H3,(H,20,21)
InChIKeyREPVRVPPHBKLBA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.29
Rot. Bonds7

About 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid

5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid (PubChem CID 82263541) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
PubChem CID82263541
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid
SMILESCCCN1CCCc2ccc(C(=O)CCCC(=O)O)cc21
InChIInChI=1S/C17H23NO3/c1-2-10-18-11-4-5-13-8-9-14(12-15(13)18)16(19)6-3-7-17(20)21/h8-9,12H,2-7,10-11H2,1H3,(H,20,21)
InChIKeyREPVRVPPHBKLBA-UHFFFAOYSA-N
XLogP3.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-Fluoro-5-propanoylphenyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 73777115
1-Methyl-1,2,3,4-tetrahydroquinoline-5-carboxylic acid
CID 60840127
6-(2-Fluoro-9-oxo-9h-acridin-10-yl)-hexanoic acid
CID 60113955
2-[3-(2,5-Dimethylphenyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 73777225
1-(Propan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxylic acid
CID 60840296
1-(Prop-2-enoyl)-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CID 165941006
10(9H)-Acridinebutanoic acid, 9-oxo-
CID 150302
6-(9-oxoacridin-10(9H)-yl)hexanoic acid
CID 10193193
3-[2-fluoro-4-[methyl-[(1-propyl-3,4-dihydro-2H-quinolin-7-yl)methyl]amino]phenyl]propanoic acid
CID 59369227
2-(3,6-Dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138657863
2-(3-Methyl-9-oxoacridin-10-yl)acetic acid
CID 138658408
6-(2,7-Diamino-9-oxo-9h-acridin-10-yl)-hexanoic acid
CID 129776381

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid (CID 82263541) is 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid is CCCN1CCCc2ccc(C(=O)CCCC(=O)O)cc21.
What is the InChIKey of 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid?
The InChIKey is REPVRVPPHBKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-10-18-11-4-5-13-8-9-14(12-15(13)18)16(19)6-3-7-17(20)21/h8-9,12H,2-7,10-11H2,1H3,(H,20,21).
What are the key properties of 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid?
5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)pentanoic acid is sourced from PubChem (CID 82263541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).