N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide

C16H17N3O2 — CID 146100678

IUPACN-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
SMILESC#CC(=O)N(C)CCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-4-15(20)18(3)10-7-11-19-14-9-6-5-8-13(14)17-12(2)16(19)21/h1,5-6,8-9H,7,10-11H2,2-3H3
InChIKeyWITNJBMZGRBRGD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide

N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide (PubChem CID 146100678) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
PubChem CID146100678
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
SMILESC#CC(=O)N(C)CCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-4-15(20)18(3)10-7-11-19-14-9-6-5-8-13(14)17-12(2)16(19)21/h1,5-6,8-9H,7,10-11H2,2-3H3
InChIKeyWITNJBMZGRBRGD-UHFFFAOYSA-N
XLogP1.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide
CID 167988513
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
CID 65260313
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617049
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide?
The IUPAC name of N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide (CID 146100678) is N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide.
What is the SMILES notation for N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide?
The canonical SMILES for N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide is C#CC(=O)N(C)CCCn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide?
The InChIKey is WITNJBMZGRBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-15(20)18(3)10-7-11-19-14-9-6-5-8-13(14)17-12(2)16(19)21/h1,5-6,8-9H,7,10-11H2,2-3H3.
What are the key properties of N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide?
N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide has a molecular weight of 283.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide is sourced from PubChem (CID 146100678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).