1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid

C19H27N3O3 — CID 143018817

IUPAC1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid
SMILESCC(C)CNCC(=O)N1c2cc(C(=O)O)ccc2N(C2CC2)CC1C
InChIInChI=1S/C19H27N3O3/c1-12(2)9-20-10-18(23)22-13(3)11-21(15-5-6-15)16-7-4-14(19(24)25)8-17(16)22/h4,7-8,12-13,15,20H,5-6,9-11H2,1-3H3,(H,24,25)
InChIKeyAWDBJEYEDRMQHC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.33
Rot. Bonds6

About 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid

1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 143018817) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid
PubChem CID143018817
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid
SMILESCC(C)CNCC(=O)N1c2cc(C(=O)O)ccc2N(C2CC2)CC1C
InChIInChI=1S/C19H27N3O3/c1-12(2)9-20-10-18(23)22-13(3)11-21(15-5-6-15)16-7-4-14(19(24)25)8-17(16)22/h4,7-8,12-13,15,20H,5-6,9-11H2,1-3H3,(H,24,25)
InChIKeyAWDBJEYEDRMQHC-UHFFFAOYSA-N
XLogP2.33
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One
CID 444508
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CID 808767
1,2,3,4-Tetrahydro-1-methyl-3-oxo-6-quinoxalinecarboxylic acid
CID 4054533
4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid
CID 1708
4-[(2R)-2-(Aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-YL]-3-[(1-ethylpropyl)amino]benzoic acid
CID 449034
4-(Acetylamino)-3-aminobenzoic acid
CID 446367
Methyl 3-amino-4-(4-methylpiperidin-1-yl)benzoate
CID 4079217
3-Amino-4-(4-methylpiperidin-1-yl)benzoic acid
CID 655553
3-Amino-4-(cyclohexylamino)benzoic acid
CID 789800
4-(3-(1-Propionylpiperidin-4-yl)ureido)benzoic acid
CID 49783010
4-cyclopropyl-1,3-dimethyl-N-(4-methylcyclohexyl)-2-oxo-3H-quinoxaline-6-carboxamide
CID 142296538
4-Carboxyphenylglycylaminoacetonitrile
CID 161267

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid (CID 143018817) is 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid is CC(C)CNCC(=O)N1c2cc(C(=O)O)ccc2N(C2CC2)CC1C.
What is the InChIKey of 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is AWDBJEYEDRMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)9-20-10-18(23)22-13(3)11-21(15-5-6-15)16-7-4-14(19(24)25)8-17(16)22/h4,7-8,12-13,15,20H,5-6,9-11H2,1-3H3,(H,24,25).
What are the key properties of 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid?
1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-4-[2-(2-methylpropylamino)acetyl]-2,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 143018817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).