N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide

C22H30N4O3 — CID 55829907

IUPACN,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C22H30N4O3/c1-4-25(5-2)21(28)16-24-11-8-12-26(14-13-24)22(29)18-15-20(27)23(3)19-10-7-6-9-17(18)19/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3
InChIKeyUYLHPVLHDFTXFU-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.55
Rot. Bonds5

About N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide

N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 55829907) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID55829907
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C22H30N4O3/c1-4-25(5-2)21(28)16-24-11-8-12-26(14-13-24)22(29)18-15-20(27)23(3)19-10-7-6-9-17(18)19/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3
InChIKeyUYLHPVLHDFTXFU-UHFFFAOYSA-N
XLogP1.55
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide with MolForge

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Related Compounds

4-[[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55792009
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
2-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 136576533
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
2-[4-[2-(3-bromophenoxy)benzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55830813
N-methyl-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 51369709
N,N-diethyl-2-[4-[3-[methyl(phenyl)sulfamoyl]benzoyl]-1,4-diazepan-1-yl]acetamide
CID 55631894
2-[4-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55631626
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 55829907) is N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is UYLHPVLHDFTXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-25(5-2)21(28)16-24-11-8-12-26(14-13-24)22(29)18-15-20(27)23(3)19-10-7-6-9-17(18)19/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55829907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).