1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid

C16H18N2O4 — CID 120530960

IUPAC1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C16H18N2O4/c1-18-12-5-3-11(9-10(12)4-6-13(18)19)14(20)17-16(15(21)22)7-2-8-16/h3,5,9H,2,4,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyXKUUZRNAOSWXOM-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.33
Rot. Bonds3

About 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 120530960) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID120530960
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C16H18N2O4/c1-18-12-5-3-11(9-10(12)4-6-13(18)19)14(20)17-16(15(21)22)7-2-8-16/h3,5,9H,2,4,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyXKUUZRNAOSWXOM-UHFFFAOYSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 120530960) is 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid is CN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCC3)ccc21.
What is the InChIKey of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is XKUUZRNAOSWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18-12-5-3-11(9-10(12)4-6-13(18)19)14(20)17-16(15(21)22)7-2-8-16/h3,5,9H,2,4,6-8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120530960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).