(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide

C18H22N2O3 — CID 100777479

IUPAC(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OC)c2ncccc12)C1CC1
InChIInChI=1S/C18H22N2O3/c1-4-23-18(2,12-7-8-12)17(21)20-14-9-10-15(22-3)16-13(14)6-5-11-19-16/h5-6,9-12H,4,7-8H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyWNLJPMWVQDGIGO-SFHVURJKSA-N
MW314.39 g/mol
LogP3.39
Rot. Bonds6

About (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide

(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide (PubChem CID 100777479) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
PubChem CID100777479
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
SMILESCCO[C@](C)(C(=O)Nc1ccc(OC)c2ncccc12)C1CC1
InChIInChI=1S/C18H22N2O3/c1-4-23-18(2,12-7-8-12)17(21)20-14-9-10-15(22-3)16-13(14)6-5-11-19-16/h5-6,9-12H,4,7-8H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyWNLJPMWVQDGIGO-SFHVURJKSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
(2R)-2-cyclopropyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100778843
2-cyclopropyl-N-[8-(2-methylpropoxy)quinolin-5-yl]-2-propoxypropanamide
CID 133206007
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763689
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide
CID 100777431
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide?
The IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide (CID 100777479) is (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide is CCO[C@](C)(C(=O)Nc1ccc(OC)c2ncccc12)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide?
The InChIKey is WNLJPMWVQDGIGO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-23-18(2,12-7-8-12)17(21)20-14-9-10-15(22-3)16-13(14)6-5-11-19-16/h5-6,9-12H,4,7-8H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide?
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide is sourced from PubChem (CID 100777479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).