N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide

C24H27N3O4 — CID 55901687

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H27N3O4/c1-5-19(17-11-7-9-13-21(17)31-15-23(29)26(2)3)25-24(30)18-14-22(28)27(4)20-12-8-6-10-16(18)20/h6-14,19H,5,15H2,1-4H3,(H,25,30)
InChIKeyTVQODBVTCDFYGY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.89
Rot. Bonds7

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55901687) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55901687
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H27N3O4/c1-5-19(17-11-7-9-13-21(17)31-15-23(29)26(2)3)25-24(30)18-14-22(28)27(4)20-12-8-6-10-16(18)20/h6-14,19H,5,15H2,1-4H3,(H,25,30)
InChIKeyTVQODBVTCDFYGY-UHFFFAOYSA-N
XLogP2.89
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide
CID 167821829
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-(2-ethoxyphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694536
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55902702
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
5-(cyclopropylsulfamoyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-methylbenzamide
CID 55993372
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55901941
3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
CID 55957713

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55901687) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide is CCC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is TVQODBVTCDFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-19(17-11-7-9-13-21(17)31-15-23(29)26(2)3)25-24(30)18-14-22(28)27(4)20-12-8-6-10-16(18)20/h6-14,19H,5,15H2,1-4H3,(H,25,30).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55901687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).