3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid

C17H18N2O3 — CID 121496875

IUPAC3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c2ccc(C(=O)NC3CC(C(=O)O)C3)cc2n1
InChIInChI=1S/C17H18N2O3/c1-9-5-10(2)18-15-8-11(3-4-14(9)15)16(20)19-13-6-12(7-13)17(21)22/h3-5,8,12-13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVMJKWUWATLASJN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.44
Rot. Bonds3

About 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid

3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 121496875) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID121496875
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1cc(C)c2ccc(C(=O)NC3CC(C(=O)O)C3)cc2n1
InChIInChI=1S/C17H18N2O3/c1-9-5-10(2)18-15-8-11(3-4-14(9)15)16(20)19-13-6-12(7-13)17(21)22/h3-5,8,12-13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVMJKWUWATLASJN-UHFFFAOYSA-N
XLogP2.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351
N-[1-(4-bromo-3-fluoro-2-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CID 135125812
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
CID 135126264
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
(3S,5R)-5-[(4-methylbenzoyl)amino]piperidine-3-carboxylic acid
CID 69063228
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
N-tert-butyl-2,4-dimethylquinoline-6-carboxamide;ethane
CID 145015375
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 121496875) is 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1cc(C)c2ccc(C(=O)NC3CC(C(=O)O)C3)cc2n1.
What is the InChIKey of 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is VMJKWUWATLASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9-5-10(2)18-15-8-11(3-4-14(9)15)16(20)19-13-6-12(7-13)17(21)22/h3-5,8,12-13H,6-7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid?
3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 121496875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).