7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C20H21N5O — CID 71731277

IUPAC7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1nc2cccc(-c3cc4n(c3)CCNC4=O)c2nc1NC1(C)CC1
InChIInChI=1S/C20H21N5O/c1-12-18(24-20(2)6-7-20)23-17-14(4-3-5-15(17)22-12)13-10-16-19(26)21-8-9-25(16)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyRBZKPGNGBLPBJZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds3

About 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 71731277) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID71731277
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1nc2cccc(-c3cc4n(c3)CCNC4=O)c2nc1NC1(C)CC1
InChIInChI=1S/C20H21N5O/c1-12-18(24-20(2)6-7-20)23-17-14(4-3-5-15(17)22-12)13-10-16-19(26)21-8-9-25(16)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)(H,23,24)
InChIKeyRBZKPGNGBLPBJZ-UHFFFAOYSA-N
XLogP3.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 71731277) is 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1nc2cccc(-c3cc4n(c3)CCNC4=O)c2nc1NC1(C)CC1.
What is the InChIKey of 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is RBZKPGNGBLPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-18(24-20(2)6-7-20)23-17-14(4-3-5-15(17)22-12)13-10-16-19(26)21-8-9-25(16)11-13/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)(H,23,24).
What are the key properties of 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methyl-3-[(1-methylcyclopropyl)amino]quinoxalin-5-yl]-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 71731277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).