N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide

C23H25N3O3 — CID 17251057

IUPACN,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H25N3O3/c1-4-25(5-2)23(29)19-14-22(28)26(20-12-7-6-11-18(19)20)15-21(27)24-17-10-8-9-16(3)13-17/h6-14H,4-5,15H2,1-3H3,(H,24,27)
InChIKeyUBVXNNHNTHADKC-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.43
Rot. Bonds6

About N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide

N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 17251057) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
PubChem CID17251057
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C23H25N3O3/c1-4-25(5-2)23(29)19-14-22(28)26(20-12-7-6-11-18(19)20)15-21(27)24-17-10-8-9-16(3)13-17/h6-14H,4-5,15H2,1-3H3,(H,24,27)
InChIKeyUBVXNNHNTHADKC-UHFFFAOYSA-N
XLogP3.43
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
N-(3-methylphenyl)-2-(2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide
CID 21129490
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N,N-diethyl-5-methyl-1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4226908
2-[4-[(3-bromophenyl)carbamoyl]-2-oxoquinolin-1-yl]acetic acid
CID 112707519
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide (CID 17251057) is N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12.
What is the InChIKey of N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is UBVXNNHNTHADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-25(5-2)23(29)19-14-22(28)26(20-12-7-6-11-18(19)20)15-21(27)24-17-10-8-9-16(3)13-17/h6-14H,4-5,15H2,1-3H3,(H,24,27).
What are the key properties of N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide?
N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 17251057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).