N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide

C23H34N8O6 — CID 146659009

IUPACN-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide
SMILESCc1cc2nc(-c3nnnn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)COCC(=O)NCCN(C)C)c2cc1C
InChIInChI=1S/C23H34N8O6/c1-13-8-15-16(9-14(13)2)31(23(36)20(25-15)22-26-27-28-30(22)5)10-17(32)21(35)18(33)11-37-12-19(34)24-6-7-29(3)4/h8-9,17-18,21,32-33,35H,6-7,10-12H2,1-5H3,(H,24,34)/t17-,18+,21-/m0/s1
InChIKeyXJRIFDNZIXKMIC-UEXGIBASSA-N
MW518.58 g/mol
LogP-2.02
Rot. Bonds12

About N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide (PubChem CID 146659009) has the molecular formula C23H34N8O6 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide
PubChem CID146659009
Molecular FormulaC23H34N8O6
Molecular Weight518.58 g/mol
Exact Mass518.26
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide
SMILESCc1cc2nc(-c3nnnn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)COCC(=O)NCCN(C)C)c2cc1C
InChIInChI=1S/C23H34N8O6/c1-13-8-15-16(9-14(13)2)31(23(36)20(25-15)22-26-27-28-30(22)5)10-17(32)21(35)18(33)11-37-12-19(34)24-6-7-29(3)4/h8-9,17-18,21,32-33,35H,6-7,10-12H2,1-5H3,(H,24,34)/t17-,18+,21-/m0/s1
InChIKeyXJRIFDNZIXKMIC-UEXGIBASSA-N
XLogP-2.02
TPSA180.75 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethyl-3-(1-methyltetrazol-5-yl)-1-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxalin-2-one
CID 146659034
1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one
CID 146659044
methyl 6,7-dimethyl-3-oxo-4-(2,3,4-trihydroxyhexyl)quinoxaline-2-carboxylate
CID 163824225
3-[4-[7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-3-yl]-4-oxobutanoyl]-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
CID 162472453
1-[(2S,3R,4R)-5-amino-2,3,4-trihydroxypentyl]-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-6,7-dimethylquinoxalin-2-one
CID 146659000
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3-undec-10-enylbenzo[g]pteridine-2,4-dione
CID 139248212
2-[5-[6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl]quinoxalin-2-yl]tetrazol-1-yl]acetic acid
CID 146659050
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680233
[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
CID 101233280
[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
CID 8965
[7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-3-yl] pentanoate
CID 141209014

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide (CID 146659009) is N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide is Cc1cc2nc(-c3nnnn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)COCC(=O)NCCN(C)C)c2cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide?
The InChIKey is XJRIFDNZIXKMIC-UEXGIBASSA-N. The full InChI is InChI=1S/C23H34N8O6/c1-13-8-15-16(9-14(13)2)31(23(36)20(25-15)22-26-27-28-30(22)5)10-17(32)21(35)18(33)11-37-12-19(34)24-6-7-29(3)4/h8-9,17-18,21,32-33,35H,6-7,10-12H2,1-5H3,(H,24,34)/t17-,18+,21-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide has a molecular weight of 518.58 g/mol, XLogP of -2.02, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide is sourced from PubChem (CID 146659009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).