3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide

C18H21N3O2 — CID 121022748

IUPAC3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCC(OCC2CC2)C1
InChIInChI=1S/C18H21N3O2/c22-18(21-10-8-15(11-21)23-12-13-6-7-13)20-16-5-1-3-14-4-2-9-19-17(14)16/h1-5,9,13,15H,6-8,10-12H2,(H,20,22)
InChIKeyLDGMLZWXQTWTFJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.27
Rot. Bonds4

About 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide

3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide (PubChem CID 121022748) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
PubChem CID121022748
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCC(OCC2CC2)C1
InChIInChI=1S/C18H21N3O2/c22-18(21-10-8-15(11-21)23-12-13-6-7-13)20-16-5-1-3-14-4-2-9-19-17(14)16/h1-5,9,13,15H,6-8,10-12H2,(H,20,22)
InChIKeyLDGMLZWXQTWTFJ-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
3-(cyclopropylmethoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 119105538
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide (CID 121022748) is 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2cccnc12)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The InChIKey is LDGMLZWXQTWTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(21-10-8-15(11-21)23-12-13-6-7-13)20-16-5-1-3-14-4-2-9-19-17(14)16/h1-5,9,13,15H,6-8,10-12H2,(H,20,22).
What are the key properties of 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 121022748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).