(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone

C22H22N4O2 — CID 90327474

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCN(C3CC3)c3ccccc32)c1Oc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-24-22(28-17-7-3-2-4-8-17)18(15-23-24)21(27)26-14-13-25(16-11-12-16)19-9-5-6-10-20(19)26/h2-10,15-16H,11-14H2,1H3
InChIKeyJSCGPVDDSRCIPB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.84
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone (PubChem CID 90327474) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone
PubChem CID90327474
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone
SMILESCn1ncc(C(=O)N2CCN(C3CC3)c3ccccc32)c1Oc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-24-22(28-17-7-3-2-4-8-17)18(15-23-24)21(27)26-14-13-25(16-11-12-16)19-9-5-6-10-20(19)26/h2-10,15-16H,11-14H2,1H3
InChIKeyJSCGPVDDSRCIPB-UHFFFAOYSA-N
XLogP3.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone (CID 90327474) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone is Cn1ncc(C(=O)N2CCN(C3CC3)c3ccccc32)c1Oc1ccccc1.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone?
The InChIKey is JSCGPVDDSRCIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-24-22(28-17-7-3-2-4-8-17)18(15-23-24)21(27)26-14-13-25(16-11-12-16)19-9-5-6-10-20(19)26/h2-10,15-16H,11-14H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone is sourced from PubChem (CID 90327474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).