N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C24H26N4O4 — CID 55789328

IUPACN-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-27(16-17-6-8-18(9-7-17)28-10-12-32-13-11-28)22(29)15-26-24(31)20-14-25-21-5-3-2-4-19(21)23(20)30/h2-9,14H,10-13,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyYQWFIUQDSNBEKO-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.75
Rot. Bonds6

About N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55789328) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID55789328
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C24H26N4O4/c1-27(16-17-6-8-18(9-7-17)28-10-12-32-13-11-28)22(29)15-26-24(31)20-14-25-21-5-3-2-4-19(21)23(20)30/h2-9,14H,10-13,15-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyYQWFIUQDSNBEKO-UHFFFAOYSA-N
XLogP1.75
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51119861
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 26973103
2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 55818659
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55789328) is N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YQWFIUQDSNBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27(16-17-6-8-18(9-7-17)28-10-12-32-13-11-28)22(29)15-26-24(31)20-14-25-21-5-3-2-4-19(21)23(20)30/h2-9,14H,10-13,15-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55789328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).