1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid

C15H17NO3 — CID 117401868

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CCc2ccc(C3(C(=O)O)CCC3)cc21
InChIInChI=1S/C15H17NO3/c1-16-12-9-11(15(14(18)19)7-2-8-15)5-3-10(12)4-6-13(16)17/h3,5,9H,2,4,6-8H2,1H3,(H,18,19)
InChIKeyTXLCGAQEAJGREK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.10
Rot. Bonds2

About 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid

1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid (PubChem CID 117401868) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
PubChem CID117401868
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CCc2ccc(C3(C(=O)O)CCC3)cc21
InChIInChI=1S/C15H17NO3/c1-16-12-9-11(15(14(18)19)7-2-8-15)5-3-10(12)4-6-13(16)17/h3,5,9H,2,4,6-8H2,1H3,(H,18,19)
InChIKeyTXLCGAQEAJGREK-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
CID 82289083
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxamide
CID 175851007
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117435901
7-[(1-hydroxycyclopropyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 117334528
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530960
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid (CID 117401868) is 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid is CN1C(=O)CCc2ccc(C3(C(=O)O)CCC3)cc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid?
The InChIKey is TXLCGAQEAJGREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-12-9-11(15(14(18)19)7-2-8-15)5-3-10(12)4-6-13(16)17/h3,5,9H,2,4,6-8H2,1H3,(H,18,19).
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid?
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117401868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).