3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride

C10H15Cl2N3O — CID 173103301

IUPAC3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride
SMILESCC1CN(C(N)=O)c2ccccc2N1.Cl.Cl
InChIInChI=1S/C10H13N3O.2ClH/c1-7-6-13(10(11)14)9-5-3-2-4-8(9)12-7;;/h2-5,7,12H,6H2,1H3,(H2,11,14);2*1H
InChIKeyXLFQXMUMPKYJSK-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.23
Rot. Bonds

About 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride

3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride (PubChem CID 173103301) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride
PubChem CID173103301
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride
SMILESCC1CN(C(N)=O)c2ccccc2N1.Cl.Cl
InChIInChI=1S/C10H13N3O.2ClH/c1-7-6-13(10(11)14)9-5-3-2-4-8(9)12-7;;/h2-5,7,12H,6H2,1H3,(H2,11,14);2*1H
InChIKeyXLFQXMUMPKYJSK-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2,3-dihydro-1H-quinoxaline;ethane
CID 156796613
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 167782573
1-[(3S)-3-methyl-2-sulfanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
CID 715888
(3S)-5-acetyl-3-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 143013487
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30080218
1-(4-acetylbenzoyl)-3-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 75498479
4-oxo-2,3-dihydroquinazoline-1-carboxamide
CID 23023743
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
1-(3,4-dihydro-1H-isochromene-1-carbonyl)-3-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 75520138
ethyl 2-[(3R)-3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoacetate
CID 40961208
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride (CID 173103301) is 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride is CC1CN(C(N)=O)c2ccccc2N1.Cl.Cl.
What is the InChIKey of 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride?
The InChIKey is XLFQXMUMPKYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.2ClH/c1-7-6-13(10(11)14)9-5-3-2-4-8(9)12-7;;/h2-5,7,12H,6H2,1H3,(H2,11,14);2*1H.
What are the key properties of 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride?
3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride has a molecular weight of 264.16 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxamide;dihydrochloride is sourced from PubChem (CID 173103301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).