1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C17H18N2O3 — CID 122135248

IUPAC1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc2nc(C)c(C(=O)NC3(C(=O)O)CCC3)cc2c1
InChIInChI=1S/C17H18N2O3/c1-10-4-5-14-12(8-10)9-13(11(2)18-14)15(20)19-17(16(21)22)6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDOHXAYJWSRQRDN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.59
Rot. Bonds3

About 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 122135248) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID122135248
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc2nc(C)c(C(=O)NC3(C(=O)O)CCC3)cc2c1
InChIInChI=1S/C17H18N2O3/c1-10-4-5-14-12(8-10)9-13(11(2)18-14)15(20)19-17(16(21)22)6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDOHXAYJWSRQRDN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 122135248) is 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1ccc2nc(C)c(C(=O)NC3(C(=O)O)CCC3)cc2c1.
What is the InChIKey of 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is DOHXAYJWSRQRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-4-5-14-12(8-10)9-13(11(2)18-14)15(20)19-17(16(21)22)6-3-7-17/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylquinoline-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122135248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).