tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate

C19H23N3O3 — CID 164884595

IUPACtert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccnc3ccccc23)C1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-11-9-13(12-22)17(23)21-16-8-10-20-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyMUTZVLVVKAFTOB-CYBMUJFWSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 164884595) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID164884595
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccnc3ccccc23)C1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-11-9-13(12-22)17(23)21-16-8-10-20-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,21,23)/t13-/m1/s1
InChIKeyMUTZVLVVKAFTOB-CYBMUJFWSA-N
XLogP3.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
CID 141375199
[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carbonyl]amino]-4-pyridinyl]boronic acid
CID 140853861
tert-butyl 3-[(2-bromo-6-methyl-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 163387197
tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 3-(benzoylcarbamoyl)pyrrolidine-1-carboxylate
CID 169094514
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
tert-butyl 3-[(5-formyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 118980438
tert-butyl 3-[methyl(quinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301049
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
tert-butyl 4-[[4-[2-(quinolin-4-ylamino)ethylamino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 122470420

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 164884595) is tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccnc3ccccc23)C1.
What is the InChIKey of tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is MUTZVLVVKAFTOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-11-9-13(12-22)17(23)21-16-8-10-20-15-7-5-4-6-14(15)16/h4-8,10,13H,9,11-12H2,1-3H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 164884595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).