N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide

C20H30N4O4S — CID 55627840

IUPACN,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H30N4O4S/c1-3-23(4-2)20(26)15-22-10-5-11-24(13-12-22)29(27,28)17-7-8-18-16(14-17)6-9-19(25)21-18/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,25)
InChIKeyPVDDYWDVMUGJRR-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.14
Rot. Bonds6

About N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide

N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 55627840) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
PubChem CID55627840
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C20H30N4O4S/c1-3-23(4-2)20(26)15-22-10-5-11-24(13-12-22)29(27,28)17-7-8-18-16(14-17)6-9-19(25)21-18/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,25)
InChIKeyPVDDYWDVMUGJRR-UHFFFAOYSA-N
XLogP1.14
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 34103593
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
N-butyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperazin-1-yl]acetamide
CID 28533821
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
6-(4-butylpiperazin-4-ium-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 9264499
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457
N,N-diethyl-2-[4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 55627639

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide (CID 55627840) is N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is PVDDYWDVMUGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-3-23(4-2)20(26)15-22-10-5-11-24(13-12-22)29(27,28)17-7-8-18-16(14-17)6-9-19(25)21-18/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,25).
What are the key properties of N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55627840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).