6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C16H17BrN2O2 — CID 174354616

IUPAC6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(CN2CCn3c(Br)cc(C)c3C2=O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(17)19-8-7-18(16(20)15(11)19)10-12-3-5-13(21-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyAFAJUNLEZFFXGD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.22
Rot. Bonds3

About 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 174354616) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID174354616
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccc(CN2CCn3c(Br)cc(C)c3C2=O)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(17)19-8-7-18(16(20)15(11)19)10-12-3-5-13(21-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyAFAJUNLEZFFXGD-UHFFFAOYSA-N
XLogP3.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 174354566
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
4-acetyl-5-methoxy-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyridin-6-one
CID 59531989
6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 59138906
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
CID 71514150
1-[(4-bromophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 54970796
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
4-(4-bromo-3-chlorobenzoyl)-14-[(4-methoxyphenyl)methyl]-4,7,9,14-tetrazatricyclo[7.6.0.02,7]pentadec-1-ene-8,15-dione
CID 155302621
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
1-[(4-bromo-3-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 170735850
1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26283362
12-(3,4-dichlorobenzoyl)-4-[(4-methoxyphenyl)methyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155342725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 174354616) is 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is COc1ccc(CN2CCn3c(Br)cc(C)c3C2=O)cc1.
What is the InChIKey of 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AFAJUNLEZFFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-14(17)19-8-7-18(16(20)15(11)19)10-12-3-5-13(21-2)6-4-12/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 349.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 174354616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).