propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate

C20H19N3O3 — CID 17016338

IUPACpropan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
SMILESCc1cc(NC(=O)c2ccccn2)c2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C20H19N3O3/c1-12(2)26-20(25)14-7-8-16-15(11-14)18(10-13(3)22-16)23-19(24)17-6-4-5-9-21-17/h4-12H,1-3H3,(H,22,23,24)
InChIKeyIJONSPQUUSCHNC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.76
Rot. Bonds4

About propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate

propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate (PubChem CID 17016338) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
PubChem CID17016338
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namepropan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate
SMILESCc1cc(NC(=O)c2ccccn2)c2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C20H19N3O3/c1-12(2)26-20(25)14-7-8-16-15(11-14)18(10-13(3)22-16)23-19(24)17-6-4-5-9-21-17/h4-12H,1-3H3,(H,22,23,24)
InChIKeyIJONSPQUUSCHNC-UHFFFAOYSA-N
XLogP3.76
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016336
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
N-(3-chloro-2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 140701994
ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016283
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23744799
methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016225
propan-2-yl 2,4-dichloroquinazoline-6-carboxylate
CID 135395749
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate (CID 17016338) is propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate is Cc1cc(NC(=O)c2ccccn2)c2cc(C(=O)OC(C)C)ccc2n1.
What is the InChIKey of propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate?
The InChIKey is IJONSPQUUSCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(2)26-20(25)14-7-8-16-15(11-14)18(10-13(3)22-16)23-19(24)17-6-4-5-9-21-17/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate?
propan-2-yl 2-methyl-4-(pyridine-2-carbonylamino)quinoline-6-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.76, 4 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-(pyridine-2-carbonylamino)quinoline-6-carboxylate is sourced from PubChem (CID 17016338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).