(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide

C18H22N4O3 — CID 143688133

IUPAC(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(C#N)cc21
InChIInChI=1S/C18H22N4O3/c1-3-25-7-6-22-16-8-13(10-19)4-5-14(16)9-15(18(22)24)11-21-12(2)17(20)23/h4-5,8-9,12,21H,3,6-7,11H2,1-2H3,(H2,20,23)/t12-/m0/s1
InChIKeyUNFMENBVCUGJFD-LBPRGKRZSA-N
MW342.40 g/mol
LogP0.87
Rot. Bonds8

About (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide

(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide (PubChem CID 143688133) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
PubChem CID143688133
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(C#N)cc21
InChIInChI=1S/C18H22N4O3/c1-3-25-7-6-22-16-8-13(10-19)4-5-14(16)9-15(18(22)24)11-21-12(2)17(20)23/h4-5,8-9,12,21H,3,6-7,11H2,1-2H3,(H2,20,23)/t12-/m0/s1
InChIKeyUNFMENBVCUGJFD-LBPRGKRZSA-N
XLogP0.87
TPSA110.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687890
(2S)-2-[[7-(1,3-benzodioxol-5-yl)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688188
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688058
2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
CID 143688101
ethanol;1-ethyl-3-[(2-fluoroethylamino)methyl]-2-oxoquinoline-7-carbonitrile
CID 143687911
methyl 2-[(2-chloro-4-cyanophenyl)methylamino]propanoate
CID 102664268
(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
methyl 6-cyano-1-ethylindole-2-carboxylate
CID 45095679
ethyl 6-cyano-1-(2-fluoroethyl)indole-2-carboxylate
CID 142633823
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
(2S)-2-[[6-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-5-methylbenzimidazol-2-yl]methylamino]propanamide
CID 58532104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide (CID 143688133) is (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide is CCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(C#N)cc21.
What is the InChIKey of (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The InChIKey is UNFMENBVCUGJFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-7-6-22-16-8-13(10-19)4-5-14(16)9-15(18(22)24)11-21-12(2)17(20)23/h4-5,8-9,12,21H,3,6-7,11H2,1-2H3,(H2,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide has a molecular weight of 342.40 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide is sourced from PubChem (CID 143688133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).