8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid

C16H18N2O4 — CID 129451004

IUPAC8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
SMILESCc1cc(NC(=O)OC(C)(C)C)cc2ccc(C(=O)O)nc12
InChIInChI=1S/C16H18N2O4/c1-9-7-11(17-15(21)22-16(2,3)4)8-10-5-6-12(14(19)20)18-13(9)10/h5-8H,1-4H3,(H,17,21)(H,19,20)
InChIKeyFRHUENTUYPSSJG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.59
Rot. Bonds2

About 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid

8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid (PubChem CID 129451004) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
PubChem CID129451004
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
SMILESCc1cc(NC(=O)OC(C)(C)C)cc2ccc(C(=O)O)nc12
InChIInChI=1S/C16H18N2O4/c1-9-7-11(17-15(21)22-16(2,3)4)8-10-5-6-12(14(19)20)18-13(9)10/h5-8H,1-4H3,(H,17,21)(H,19,20)
InChIKeyFRHUENTUYPSSJG-UHFFFAOYSA-N
XLogP3.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
CID 155896659
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
CID 164562081
CID 164562081
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 171832196

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid?
The IUPAC name of 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid (CID 129451004) is 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid is Cc1cc(NC(=O)OC(C)(C)C)cc2ccc(C(=O)O)nc12.
What is the InChIKey of 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid?
The InChIKey is FRHUENTUYPSSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9-7-11(17-15(21)22-16(2,3)4)8-10-5-6-12(14(19)20)18-13(9)10/h5-8H,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid?
8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 129451004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).