propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate

C19H24N2O4 — CID 17016336

IUPACpropan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
SMILESCc1cc(NC(=O)COC(C)C)c2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C19H24N2O4/c1-11(2)24-10-18(22)21-17-8-13(5)20-16-7-6-14(9-15(16)17)19(23)25-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21,22)
InChIKeyUIVOPMPOECQMFM-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.47
Rot. Bonds6

About propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate

propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate (PubChem CID 17016336) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
PubChem CID17016336
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namepropan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
SMILESCc1cc(NC(=O)COC(C)C)c2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C19H24N2O4/c1-11(2)24-10-18(22)21-17-8-13(5)20-16-7-6-14(9-15(16)17)19(23)25-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21,22)
InChIKeyUIVOPMPOECQMFM-UHFFFAOYSA-N
XLogP3.47
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016283
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
CID 17016338
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
propan-2-yl 2,4-dichloroquinazoline-6-carboxylate
CID 135395749
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016225
propan-2-yl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128343
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate (CID 17016336) is propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate is Cc1cc(NC(=O)COC(C)C)c2cc(C(=O)OC(C)C)ccc2n1.
What is the InChIKey of propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
The InChIKey is UIVOPMPOECQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)24-10-18(22)21-17-8-13(5)20-16-7-6-14(9-15(16)17)19(23)25-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21,22).
What are the key properties of propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate?
propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate is sourced from PubChem (CID 17016336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).