(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide

C24H29N3O4 — CID 143687890

IUPAC(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C24H29N3O4/c1-4-31-12-11-27-22-14-18(17-7-9-21(30-3)10-8-17)5-6-19(22)13-20(24(27)29)15-26-16(2)23(25)28/h5-10,13-14,16,26H,4,11-12,15H2,1-3H3,(H2,25,28)/t16-/m0/s1
InChIKeyZCYBUMYCAQGUPD-INIZCTEOSA-N
MW423.51 g/mol
LogP2.68
Rot. Bonds10

About (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide

(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide (PubChem CID 143687890) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
PubChem CID143687890
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
SMILESCCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C24H29N3O4/c1-4-31-12-11-27-22-14-18(17-7-9-21(30-3)10-8-17)5-6-19(22)13-20(24(27)29)15-26-16(2)23(25)28/h5-10,13-14,16,26H,4,11-12,15H2,1-3H3,(H2,25,28)/t16-/m0/s1
InChIKeyZCYBUMYCAQGUPD-INIZCTEOSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.68
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-[[7-(1,3-benzodioxol-5-yl)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688188
(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688133
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688058
2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973
2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
CID 143688101
1-(2-ethoxyethyl)-3-[(furan-2-ylmethylamino)methyl]-7-[4-(trifluoromethoxy)phenyl]quinolin-2-one
CID 143687918
(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
(2S)-2-[[1-(2-ethoxyethyl)-6-(4-methylphenyl)benzimidazol-2-yl]methylamino]butanamide
CID 126490288
(2S)-2-[[6-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-5-methylbenzimidazol-2-yl]methylamino]propanamide
CID 58532104
ethyl 5-[[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methylamino]methyl]furan-2-carboxylate
CID 143688154
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922056
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide (CID 143687890) is (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide is CCOCCn1c(=O)c(CN[C@@H](C)C(N)=O)cc2ccc(-c3ccc(OC)cc3)cc21.
What is the InChIKey of (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
The InChIKey is ZCYBUMYCAQGUPD-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-31-12-11-27-22-14-18(17-7-9-21(30-3)10-8-17)5-6-19(22)13-20(24(27)29)15-26-16(2)23(25)28/h5-10,13-14,16,26H,4,11-12,15H2,1-3H3,(H2,25,28)/t16-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide?
(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide has a molecular weight of 423.51 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide is sourced from PubChem (CID 143687890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).