N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide

C24H29N3O5 — CID 170238094

IUPACN-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide
SMILESCCCCCOc1ccc2c(C(=O)NCC(=O)N3CCCC3C(=O)C(C)=O)ccnc2c1
InChIInChI=1S/C24H29N3O5/c1-3-4-5-13-32-17-8-9-18-19(10-11-25-20(18)14-17)24(31)26-15-22(29)27-12-6-7-21(27)23(30)16(2)28/h8-11,14,21H,3-7,12-13,15H2,1-2H3,(H,26,31)
InChIKeyLQKGIESKVCDJCU-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.68
Rot. Bonds10

About N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide

N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide (PubChem CID 170238094) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide
PubChem CID170238094
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide
SMILESCCCCCOc1ccc2c(C(=O)NCC(=O)N3CCCC3C(=O)C(C)=O)ccnc2c1
InChIInChI=1S/C24H29N3O5/c1-3-4-5-13-32-17-8-9-18-19(10-11-25-20(18)14-17)24(31)26-15-22(29)27-12-6-7-21(27)23(30)16(2)28/h8-11,14,21H,3-7,12-13,15H2,1-2H3,(H,26,31)
InChIKeyLQKGIESKVCDJCU-UHFFFAOYSA-N
XLogP2.68
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]-7-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]ethoxy]quinoline-4-carboxamide
CID 156869969
7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 165399906
N-[2-[(2S)-2-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164620234
N-[2-[(2S)-2-(2-chloroacetyl)pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 90655562
N-[2-[(2S)-2-[2-[(4-fluorophenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164623687
tert-butyl N-[3-[4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]carbamate
CID 172528178
4-[[2-(2-fluorosulfonyloxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]-6-methoxyquinoline
CID 177168514
tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
CID 174250162
6-[3-[4-[3-[2-(2-acetamidoethoxy)ethoxy]propanoyl]piperazin-1-yl]propoxy]-N-[2-[(2R)-2-isocyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 171591200
(2S)-2-[[(2S)-2-[3-[2-[2-[2-[[2-[4-[[2-[(2R)-2-boronopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-7-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoyl]amino]-6-(octanoylamino)hexanoic acid
CID 170747906
N-(2-oxo-2-pyrrolidin-1-ylethyl)-7-propan-2-ylquinoline-4-carboxamide
CID 169159704
azane;N-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-6-[4-(2-methylbutanoylamino)butoxy]quinoline-4-carboxamide;molecular hydrogen;hydrofluoride
CID 166162356

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide?
The IUPAC name of N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide (CID 170238094) is N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide is CCCCCOc1ccc2c(C(=O)NCC(=O)N3CCCC3C(=O)C(C)=O)ccnc2c1.
What is the InChIKey of N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide?
The InChIKey is LQKGIESKVCDJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-3-4-5-13-32-17-8-9-18-19(10-11-25-20(18)14-17)24(31)26-15-22(29)27-12-6-7-21(27)23(30)16(2)28/h8-11,14,21H,3-7,12-13,15H2,1-2H3,(H,26,31).
What are the key properties of N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide?
N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(2-oxopropanoyl)pyrrolidin-1-yl]ethyl]-7-pentoxyquinoline-4-carboxamide is sourced from PubChem (CID 170238094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).