5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid

C18H20N4O3 — CID 138028434

IUPAC5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-20-16(10-13(19-20)18(24)25)17(23)22-9-8-21(11-12-6-7-12)14-4-2-3-5-15(14)22/h2-5,10,12H,6-9,11H2,1H3,(H,24,25)
InChIKeyDDOLTSWJAAQGQZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.00
Rot. Bonds4

About 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid

5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 138028434) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID138028434
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-20-16(10-13(19-20)18(24)25)17(23)22-9-8-21(11-12-6-7-12)14-4-2-3-5-15(14)22/h2-5,10,12H,6-9,11H2,1H3,(H,24,25)
InChIKeyDDOLTSWJAAQGQZ-UHFFFAOYSA-N
XLogP2.00
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)pyrazole-3-carboxylic acid
CID 154843919
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 122143241
6-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]pyridine-3-carbonitrile
CID 71985837
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 139005573
3-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119895849
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
2-amino-1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]pentan-1-one;dihydrochloride
CID 119895842
1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119895862
[1-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-1-oxopropan-2-yl]urea
CID 71868713
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
N-[4-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 71925729

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid (CID 138028434) is 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1C(=O)N1CCN(CC2CC2)c2ccccc21.
What is the InChIKey of 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is DDOLTSWJAAQGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-20-16(10-13(19-20)18(24)25)17(23)22-9-8-21(11-12-6-7-12)14-4-2-3-5-15(14)22/h2-5,10,12H,6-9,11H2,1H3,(H,24,25).
What are the key properties of 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid?
5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 138028434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).